SCHEMBL315174

SCHEMBL315174

COCc1nnc(N2CCN(C(=O)O)C(C)C2)n1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 16/20 0.42
SMO Q99835 1/20 0.41
AVPR1A P37288 10/20 0.41
SLC6A7 Q99884 2/20 0.39
AVPR2 P30518 4/20 0.39
TACR1 P25103 1/20 0.39
OPRK1 P41145 1/20 0.39
GHSR Q92847 1/20 0.39
AVPR1B P47901 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL316997 0.90 SLC6A7 (0.51) OXTRSMOAVPR1ASLC6A7TACR1
SCHEMBL8285773 0.88 GPR119 (0.43) OXTRSMOAVPR1ASLC6A7AVPR2
SCHEMBL27648789 0.85 SMO (0.43) SMOSLC6A7
SCHEMBL316099 0.80 OXTR (0.40) OXTRSMOAVPR1AAVPR2TACR1
SCHEMBL315784 0.78 OXTR (0.44) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL13292486 0.75 GPR119 (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL315678 0.74 SMO (0.53) SMOSLC6A7
SCHEMBL4619815 0.72 OXTR (0.49) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL315796 0.71 OXTR (0.45) OXTRAVPR1AAVPR2KCNH2
SCHEMBL316872 0.71 OXTR (0.39) OXTRAVPR1AAVPR2TACR1OPRK1

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 7 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
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-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US 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
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 OXTR 366/4885SMO 1752/4885AVPR1A 533/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 68/4885SMO 4009/4885AVPR1A 1/4885

“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.