SCHEMBL316458

SCHEMBL316458

Cc1cc(Cl)ccc1-n1c(C)nnc1C1CCCN(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 17/20 0.46
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL315257 0.95 BRD4 (0.42) PROKR1PDE4BPDE4DBRD4
SCHEMBL27831852 0.87 SETDB1 (0.43) PROKR1BRD4
SCHEMBL8284380 0.86 CNR1 (0.46) PROKR1
SCHEMBL314859 0.85 PDE2A (0.49) PROKR1
SCHEMBL8285078 0.81 OXTR (0.47)
SCHEMBL315393 0.80 MGLL (0.43) PROKR1PDE4BPDE4D
SCHEMBL314328 0.79 AVPR1A (0.43) BRD4
SCHEMBL314798 0.76 BRD4 (0.42) BRD4
SCHEMBL315106 0.76 AVPR1A (0.39) BRD4
SCHEMBL314800 0.75 AVPR1A (0.43) BRD4

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 PROKR1 630/4885PDE4B 1556/4885PDE4D 1894/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PROKR1 350/4885PDE4B 261/4885PDE4D 192/4885

“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.