SCHEMBL316362

SCHEMBL316362

O=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
RBP4 P02753 4/20 0.44
SCD O00767 2/20 0.42
P2RX7 Q99572 4/20 0.42
CYP3A4 P08684 1/20 0.42
AVPR1A P37288 3/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL315386 0.85 MGLL (0.43) MGLLAVPR1A
SCHEMBL315463 0.85 AVPR1A (0.41) MGLLCYP2C9CYP2C19MAPK14AVPR1A
SCHEMBL315732 0.85 MGLL (0.52) MGLLAVPR1A
SCHEMBL10189997 0.85 AVPR1A (0.47) MGLLCYP3A4AVPR1A
SCHEMBL314899 0.84 AVPR1A (0.43) MGLLCYP3A4AVPR1A
SCHEMBL314967 0.84 AKR1C3 (0.45) MGLLAVPR1A
SCHEMBL316326 0.83 MGLL (0.53) MGLLRBP4AVPR1A
SCHEMBL10189996 0.81 MAPK11 (0.44) MAPK14AVPR1A
SCHEMBL316211 0.81 AVPR1A (0.49) MGLLCYP2C19AVPR1A
SCHEMBL314612 0.81 MGLL (0.43) MGLLAVPR1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US claimed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US claimed
JP-2007515468-A 2007-06-14 JP claimed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP claimed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO claimed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US claimed
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-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 MGLL 2004/4885CYP2C9 617/4885CYP2C19 703/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885CYP2C9 1314/4885CYP2C19 307/4885

“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.