SCHEMBL232050

SCHEMBL232050

O=C(c1cc[c]cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SRD5A2 P31213 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.38
CPB1 P15086 1/20 0.38
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL27514751 0.91 SRD5A2 (0.50) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL5214996 0.91 SRD5A2 (0.55) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL5218499 0.90 SRD5A2 (0.58) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL25292565 0.86 POLB (0.43) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL11716695 0.86 MEN1 (0.62) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL21402759 0.86 PLG (0.47) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL4040222 0.83 MEN1 (0.47) MEN1KMT2AHTR2AHTR2CHSD11B1
SCHEMBL11710930 0.79 CYP2D6 (0.50) SRD5A2MEN1KMT2ACYP2D6HTR2C
SCHEMBL25251891 0.79 POLB (0.41) SRD5A2HSD11B1SMN1; SMN2POLB
SCHEMBL21590150 0.78 KMT2A (0.44) MEN1KMT2AHSD11B1MGLLPOLB

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215045-C Stable salts of novel derivatives of 3, 3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2005-08-17 CN claimed
CN-1390194-A Stable salts of novel derivatives of 3, 3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2003-01-08 CN claimed
CN-107428678-A Method for preparing 2 [4 (cyclopropane carbonyl) phenyl] 2 methyl propionitrile 赛诺菲-安万特德国有限公司 2017-12-01 CN disclosed
CN-107428678-A Method for preparing 2 [4 (cyclopropane carbonyl) phenyl] 2 methyl propionitrile 赛诺菲-安万特德国有限公司 2017-12-01 CN disclosed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110112193-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2011-05-12 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
CN-102036952-A Bis-aryl compounds for use as medicaments BIOLIPOX AB 2011-04-27 CN disclosed
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions ABBOTT LABORATORIES 2003-08-14 US disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions ABBOTT LABORATORIES 2003-07-17 US disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 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 (7 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 NPC1 2137/4885RAB9A 1738/4885SRD5A2 3281/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 NPC1 2137/4885RAB9A 1738/4885SRD5A2 3281/4885
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 NPC1 1427/4885RAB9A 1315/4885SRD5A2 2885/4885
US-20110112193-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R NPC1 1850/4885RAB9A 3833/4885SRD5A2 899/4885
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 NPC1 3697/4885RAB9A 2934/4885SRD5A2 3450/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 NPC1 3440/4885RAB9A 2929/4885SRD5A2 3316/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R NPC1 2560/4885RAB9A 3916/4885SRD5A2 564/4885

“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.