SCHEMBL315469

SCHEMBL315469

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
LSS P48449 2/20 0.39
HSP90AA1 P07900 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MGLL Q99685 3/20 0.38
MAPT P10636 1/20 0.38
AVPR1A P37288 3/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HSD11B1 P28845 1/20 0.37
CNR1 P21554 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL314967 0.93 AKR1C3 (0.45) AKR1C3LSSLMNATSHRHTT
SCHEMBL315732 0.89 MGLL (0.52) AKR1C3LSSTSHRMGLLAVPR1A
SCHEMBL10189997 0.88 AVPR1A (0.47) AKR1C3LSSLMNATSHRHTT
SCHEMBL315548 0.86 MGLL (0.41) MGLLAVPR1AHSD11B1
SCHEMBL314612 0.86 MGLL (0.43) AKR1C3LSSHSP90AA1LMNATSHR
SCHEMBL316413 0.84 MGLL (0.42) AKR1C3LSSHSP90AA1MGLLAVPR1A
SCHEMBL316211 0.84 AVPR1A (0.49) LMNAMGLLAVPR1AHSD11B1EGLN1
SCHEMBL315444 0.83 MGLL (0.51) TSHRHTTMGLLAVPR1AKCNK3
SCHEMBL15451275 0.83 TRPV1 (0.42) AVPR1ACNR1
SCHEMBL10189996 0.82 MAPK11 (0.44) MAPTAVPR1AHSD11B1KMT2AMEN1

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 AKR1C3 339/4885LSS 927/4885HSP90AA1 1566/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AKR1C3 757/4885LSS 1587/4885HSP90AA1 3237/4885

“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.