SCHEMBL2899845

SCHEMBL2899845

COc1cccc(-c2nc(C3CCN(C4CC4)CC3)no2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
TP53 P04637 4/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 6/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 1/20 0.50
GRM5 P41594 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL3827865 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL2899221 0.87 USP7 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL3827139 0.86 USP7 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2899955 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2896678 0.80 POLB (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL3848471 0.79 POLB (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2894159 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL3833097 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2900053 0.78 HTT (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2892228 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP claimed
US-7799924-B2 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
US-7799924-B2 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
US-7799924-B2 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP disclosed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
EP-1585515-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders VTVX HOLDINGS II LLC 2005-05-19 US disclosed
WO-2004054973-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2004-07-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH3, HRH4, HRH2 NPC1 3998/4885RAB9A 1945/4885SMN1; SMN2 2688/4885
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH4, HRH3, HRH2 NPC1 3916/4885RAB9A 1938/4885SMN1; SMN2 2735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.