SCHEMBL314967

SCHEMBL314967

O=C(c1ccc(Cl)cc1)N1CCC(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
LSS P48449 2/20 0.44
MGLL Q99685 6/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
AVPR1A P37288 3/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 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
SCHEMBL10189997 0.95 AVPR1A (0.47) AKR1C3LSSMGLLMAPTLMNA
SCHEMBL315732 0.94 MGLL (0.52) AKR1C3LSSMGLLTSHRAVPR1A
SCHEMBL315469 0.93 AKR1C3 (0.41) AKR1C3LSSMGLLMAPTLMNA
SCHEMBL315548 0.91 MGLL (0.41) MGLLAVPR1A
SCHEMBL314612 0.91 MGLL (0.43) AKR1C3LSSMGLLLMNATSHR
SCHEMBL316211 0.91 AVPR1A (0.49) MGLLLMNAAVPR1A
SCHEMBL316413 0.89 MGLL (0.42) AKR1C3LSSMGLLAVPR1AKCNK3
SCHEMBL10189996 0.89 MAPK11 (0.44) MAPTAVPR1AKMT2AMEN1
SCHEMBL315444 0.88 MGLL (0.51) MGLLTSHRHTTAVPR1AKCNK3
SCHEMBL314899 0.87 AVPR1A (0.43) MGLLMAPTAVPR1AKMT2A

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 18 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-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
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 AKR1C3 339/4885LSS 927/4885MGLL 2004/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AKR1C3 757/4885LSS 1587/4885MGLL 4089/4885

“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.