SCHEMBL314328

SCHEMBL314328

Cc1nnc(C2CCN(C(=O)O)CC2)n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.43
AVPR2 P30518 2/20 0.43
KCNH2 Q12809 2/20 0.43
NOTUM Q6P988 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
BRD4 O60885 4/20 0.41
SETDB1 Q15047 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL314798 0.87 BRD4 (0.42) AVPR1AAVPR2KCNH2PTGDR2BRD4
SCHEMBL8285088 0.85 CNR1 (0.51) AVPR1ALMNACNR1CNR2
SCHEMBL315257 0.84 BRD4 (0.42) AVPR1AAVPR2KCNH2PTGDR2BRD4
SCHEMBL316458 0.79 PROKR1 (0.46) BRD4
SCHEMBL27831852 0.75 SETDB1 (0.43) PTGDR2BRD4SETDB1
SCHEMBL8284424 0.74 OXTR (0.46) AVPR1ALMNACNR1CNR2
SCHEMBL315393 0.74 MGLL (0.43)
SCHEMBL6423319 0.74 AVPR1A (0.64) AVPR1AAVPR2KCNH2
SCHEMBL8285078 0.73 OXTR (0.47) AVPR1ALMNACNR1CNR2
SCHEMBL28758747 0.72 PTGDR2 (0.48) AVPR1APTGDR2

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 7 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-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
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN 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 533/4885AVPR2 341/4885KCNH2 3025/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885AVPR2 3/4885KCNH2 62/4885

“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.