SCHEMBL314899

SCHEMBL314899

O=C(c1cc(Cl)ccc1F)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.43
MGLL Q99685 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE2A O00408 1/20 0.38
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
CYP3A4 P08684 4/20 0.37
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
AVPR2 P30518 1/20 0.35
KCNH2 Q12809 1/20 0.35
ENPP2 Q13822 1/20 0.35
PRCP P42785 1/20 0.35

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
SCHEMBL315463 0.89 AVPR1A (0.41) AVPR1AMGLLPOLBPDE2AHCRTR1
SCHEMBL315548 0.88 MGLL (0.41) AVPR1AMGLL
SCHEMBL314612 0.87 MGLL (0.43) AVPR1AMGLLCNR1CNR2
SCHEMBL315386 0.87 MGLL (0.43) AVPR1AMGLLPOLBPDE2A
SCHEMBL314967 0.87 AKR1C3 (0.45) AVPR1AMGLLKMT2AMAPT
SCHEMBL316413 0.86 MGLL (0.42) AVPR1AMGLLPDE2AKCNH2
SCHEMBL316211 0.85 AVPR1A (0.49) AVPR1AMGLL
SCHEMBL315444 0.85 MGLL (0.51) AVPR1AMGLLCYP3A4
SCHEMBL316362 0.84 MGLL (0.51) AVPR1AMGLLCYP3A4
SCHEMBL10189997 0.84 AVPR1A (0.47) AVPR1AMGLLCYP3A4KMT2AMAPT

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 AVPR1A 533/4885MGLL 2004/4885POLB 2941/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885MGLL 4089/4885POLB 3375/4885

“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.