SCHEMBL314798

SCHEMBL314798

COc1cc(Cl)ccc1-n1c(C)nnc1C1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
AVPR1A P37288 4/20 0.42
AVPR2 P30518 2/20 0.42
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
BRD2 P25440 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL8284424 0.87 OXTR (0.46) AVPR1AMEN1KMT2AMAPTHPGD
SCHEMBL314328 0.87 AVPR1A (0.43) BRD4AVPR1AAVPR2KCNH2PTGDR2
SCHEMBL28758747 0.82 PTGDR2 (0.48) AVPR1AMEN1KMT2AMAPTPTGDR2
SCHEMBL315257 0.81 BRD4 (0.42) BRD4AVPR1AAVPR2KCNH2MEN1
SCHEMBL25294536 0.78 AVPR1A (0.47) BRD4AVPR1AAVPR2KCNH2
SCHEMBL25294535 0.78 AVPR1A (0.47) BRD4AVPR1AAVPR2KCNH2
SCHEMBL316458 0.76 PROKR1 (0.46) BRD4
SCHEMBL8285088 0.76 CNR1 (0.51) AVPR1AMEN1KMT2AMAPTHPGD
SCHEMBL27648988 0.75 AVPR1A (0.43) AVPR1AAVPR2KCNH2MEN1KMT2A
SCHEMBL27831852 0.72 SETDB1 (0.43) BRD4PTGDR2

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
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN 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 BRD4 213/4885AVPR1A 533/4885AVPR2 341/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 BRD4 1989/4885AVPR1A 1/4885AVPR2 3/4885

“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.