SCHEMBL5111755

SCHEMBL5111755

Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(C)CC4)n3Cc3ccccc32)ccc1C1=CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.51
AVPR1A P37288 4/20 0.39
OXTR P30559 1/20 0.37
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5110450 0.89 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5117110 0.89 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL5785161 0.88 AVPR2 (0.54) AVPR2AVPR1AOXTRHPGDTSHR
SCHEMBL5106699 0.85 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL5784375 0.85 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL5783050 0.84 AVPR2 (0.50) AVPR2AVPR1AOXTRKMT2A
SCHEMBL6475968 0.83 AVPR1A (0.40) AVPR2AVPR1A
SCHEMBL5784602 0.83 AVPR2 (0.49) AVPR2AVPR1AOXTRKMT2A
SCHEMBL6210294 0.82 AVPR1A (0.41) AVPR2AVPR1A
SCHEMBL5786497 0.81 AVPR2 (0.48) AVPR2AVPR1AOXTR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377585-B1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-11-09 EP claimed
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US disclosed
EP-1377585-B1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-11-09 EP disclosed
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-01-02 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 (1 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-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 38/4885AVPR1A 23/4885OXTR 1/4885

“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.