SCHEMBL315784

SCHEMBL315784

COCc1nnc(N2CCNC(C)C2)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 17/20 0.44
AVPR1A P37288 11/20 0.43
AVPR2 P30518 4/20 0.41
TACR1 P25103 1/20 0.41
OPRK1 P41145 1/20 0.41
GHSR Q92847 1/20 0.41
AVPR1B P47901 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL316696 0.81 HTR3A (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL315174 0.78 OXTR (0.42) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL316872 0.77 OXTR (0.39) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL316997 0.77 SLC6A7 (0.51) OXTRAVPR1ATACR1CYP2C19KCNH2
SCHEMBL4619815 0.75 OXTR (0.49) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL8285773 0.74 GPR119 (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL1203357 0.73 HTR3E (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2874784 0.73 HTR3E (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL1203360 0.73 HTR3E (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5157264 0.72 OXTR (0.55) 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 13 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
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
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 OXTR 366/4885AVPR1A 533/4885AVPR2 341/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OXTR 68/4885AVPR1A 1/4885AVPR2 3/4885

“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.