SCHEMBL315737

SCHEMBL315737

Cc1nnc(N2CCC(C(=O)O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.56
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.46
AVPR1A P37288 2/20 0.45
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OXTR P30559 1/20 0.42
TRPA1 O75762 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CYP2C19 P33261 1/20 0.40
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL315925 0.85 NPY5R (0.44) NOTUMAVPR1AOXTRTRPA1TRPM8
SCHEMBL315336 0.85 MAPT (0.53) HTTMAPTKDM4EHPGDHSD17B10
SCHEMBL5155966 0.84 AVPR1A (0.48) NOTUMAVPR1AOXTRTRPA1TRPM8
SCHEMBL5158523 0.83 NPY5R (0.45) NOTUMAVPR1AOXTRTRPA1TRPM8
SCHEMBL5158518 0.82 HTT (0.43) NOTUMLMNAHTTMAPTAVPR1A
SCHEMBL315251 0.82 TRPA1 (0.46) AKR1C3LMNAHTTMAPTKDM4E
SCHEMBL5424649 0.82 OXTR (0.45) NOTUMAVPR1AKDM4EOXTRTRPA1
SCHEMBL8256810 0.82 AVPR1A (0.48) AVPR1AKDM4EOXTRTRPA1TRPM8
SCHEMBL5810395 0.81 NOTUM (0.43) NOTUMAKR1C3LMNAMAPTAVPR1A
Hydrochloric Acid SCHEMBL5156223 0.81 AVPR1A (0.47) AVPR1AKDM4EOXTRTRPA1TRPM8

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 NOTUM 1308/4885AKR1C3 339/4885LMNA 2443/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NOTUM 4256/4885AKR1C3 757/4885LMNA 1738/4885

“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.