SCHEMBL830749

SCHEMBL830749

O=C(Nc1ccc2ccccc2c1)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
NPC1 O15118 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 3/20 0.64
TP53 P04637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 4/20 0.58
TSHR P16473 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
KLK7 P49862 1/20 0.58
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL6852416 0.98 KDM4E (0.62) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL9188898 0.92 FAAH (0.62) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL2677271 0.86 KDM4E (0.64) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL1575113 0.85 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL1574686 0.85 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL5956401 0.85 POLB (0.66) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL7306282 0.85 AKR1C3 (0.52) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL2677586 0.85 CNR2 (0.63) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL2677147 0.84 KDM4E (0.58) RAB9ANPC1SMN1; SMN2KDM4ETP53
Hydrochloric Acid SCHEMBL5492077 0.84 POLB (0.68) RAB9ANPC1SMN1; SMN2KDM4ETP53

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
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20120010283-A1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-20120010283-A1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-8003693-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-23 US disclosed
US-8003693-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-23 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
WO-2007106706-A1 CYCLIC UREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EFFECTIVE FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 US disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 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 (3 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-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis FAAH, FAAH2, CNR2 RAB9A 870/4885NPC1 625/4885SMN1; SMN2 4013/4885
US-20120010283-A1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS FAAH, FAAH2, CNR2 RAB9A 944/4885NPC1 727/4885SMN1; SMN2 4010/4885
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 RAB9A 3160/4885NPC1 3721/4885SMN1; SMN2 4842/4885

“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.