SCHEMBL2901393

SCHEMBL2901393

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)no2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.58
TUBB P07437 3/20 0.58
TUBA3C P0DPH7 3/20 0.58
TUBA1B P68363 3/20 0.58
TUBA4A P68366 3/20 0.58
TUBB4B P68371 3/20 0.58
TUBB3 Q13509 3/20 0.58
TUBB2A Q13885 3/20 0.58
TUBB8 Q3ZCM7 3/20 0.58
TUBA3E Q6PEY2 3/20 0.58
TUBA1A Q71U36 3/20 0.58
TUBA1C Q9BQE3 3/20 0.58
TUBB6 Q9BUF5 3/20 0.58
TUBB2B Q9BVA1 3/20 0.58
TUBB1 Q9H4B7 3/20 0.58
GPR119 Q8TDV5 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL1653518 0.98 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4423384 0.90 GPR119 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4420449 0.89 LMNA (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4414448 0.89 GPR119 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12580564 0.89 HDAC4 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4414338 0.89 GPR119 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4419288 0.89 LMNA (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31260537 0.89 HDAC4 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4415594 0.88 HTT (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL390646 0.88 GPR119 (0.67) GPR119LMNATSHRHDAC4SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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 TUBB4A 2760/4885TUBB 2837/4885TUBA3C 1669/4885
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 TUBB4A 2822/4885TUBB 3033/4885TUBA3C 1694/4885

“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.