SCHEMBL5110111

SCHEMBL5110111

CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)C(Cl)(Cl)Cl)n4Cc4ccccc43)cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.48
AVPR2 P30518 16/20 0.46
OXTR P30559 4/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6626241 0.96 AVPR1A (0.48) AVPR1AAVPR2OXTRNPC1HPGD
SCHEMBL6625101 0.93 AVPR1A (0.58) AVPR1AAVPR2
SCHEMBL5106849 0.90 AVPR1A (0.53) AVPR1AAVPR2OXTRNPC1HPGD
SCHEMBL3552960 0.86 AVPR1A (0.63) AVPR1AAVPR2OXTRHPGD
SCHEMBL5119149 0.85 AVPR2 (0.49) AVPR1AAVPR2OXTRNPC1HPGD
SCHEMBL13403230 0.84 AVPR1A (0.53) AVPR1AAVPR2NPC1HPGDRAB9A
SCHEMBL3554634 0.84 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL5788208 0.82 AVPR1A (0.50) AVPR1AAVPR2NPC1HPGDRAB9A
SCHEMBL3553886 0.82 AVPR1A (0.53) AVPR1AAVPR2NPC1HPGDRAB9A
SCHEMBL3537863 0.80 AVPR1A (0.51) AVPR1AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AVPR1A 23/4885AVPR2 38/4885OXTR 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.