SCHEMBL5626552

SCHEMBL5626552

O=C(Cl)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(C3CCCCC3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.46
AVPR2 P30518 10/20 0.42
FFAR2 O15552 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A7 Q99884 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
SCHEMBL5626277 0.91 AVPR1A (0.48) AVPR1AAVPR2FFAR2HSD11B1HTR2B
SCHEMBL5626377 0.90 AVPR1A (0.46) AVPR1AAVPR2FFAR2HSD11B1HTR2B
SCHEMBL5629020 0.90 AVPR1A (0.48) AVPR1AAVPR2HSD11B1HTR2BSLC6A7
SCHEMBL5626382 0.89 AVPR1A (0.46) AVPR1AAVPR2FFAR2HSD11B1HTR2B
SCHEMBL5626621 0.88 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL5626281 0.87 AVPR1A (0.46) AVPR1AAVPR2HTR2B
SCHEMBL5626431 0.85 AVPR1A (0.48) AVPR1AAVPR2HSD11B1HTR2BSLC6A7
SCHEMBL5628972 0.85 AVPR2 (0.48) AVPR1AAVPR2HSD11B1HTR2BSLC6A7
SCHEMBL5628220 0.84 AVPR1A (0.43) AVPR1AAVPR2HSD11B1HTR2B
SCHEMBL5627472 0.84 AVPR1A (0.46) AVPR1AAVPR2FFAR2HSD11B1HTR2B

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
US-7202239-B2 Cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2007-04-10 US disclosed
EP-1377582-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 US disclosed
WO-2002085907-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-31 WO 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-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, CRHR2 AVPR1A 41/4885AVPR2 49/4885FFAR2 863/4885

“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.