SCHEMBL7108357

SCHEMBL7108357

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C=O)n3Cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.52
AVPR2 P30518 9/20 0.52
FFAR2 O15552 4/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7109575 0.90 AVPR2 (0.51) AVPR1AAVPR2RAB9ASMN1; SMN2
SCHEMBL7107601 0.87 AVPR1A (0.65) AVPR1AAVPR2CDK4CCND1
SCHEMBL5836585 0.87 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL7115671 0.83 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL7114677 0.83 AVPR2 (0.49) AVPR1AAVPR2RAB9ASMN1; SMN2
SCHEMBL3537863 0.83 AVPR1A (0.51) AVPR1AAVPR2FFAR2
SCHEMBL5784180 0.81 AVPR2 (0.54) AVPR1AAVPR2CDK4CCND1
SCHEMBL5835280 0.81 AVPR2 (0.46) AVPR1AAVPR2SMN1; SMN2
SCHEMBL7107610 0.80 PDE4A (0.46) AVPR1AAVPR2
SCHEMBL3538425 0.80 AVPR1A (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR1A 62/4885AVPR2 91/4885FFAR2 1937/4885

“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.