SCHEMBL7107601

SCHEMBL7107601

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C=O)n3Cc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.65
AVPR2 P30518 9/20 0.65
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
KCNN4 O15554 1/20 0.40
KCNA3 P22001 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
SCHEMBL5835303 0.89 AVPR1A (0.51) AVPR1AAVPR2
SCHEMBL7108357 0.87 AVPR1A (0.52) AVPR1AAVPR2CDK4CCND1
SCHEMBL7115671 0.84 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL3554634 0.82 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL5785129 0.81 AVPR2 (0.61) AVPR1AAVPR2
SCHEMBL5836585 0.80 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL5835574 0.80 TSHR (0.43) AVPR1AAVPR2
SCHEMBL4138543 0.79 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL7109575 0.79 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL5784789 0.78 AVPR2 (0.57) 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 91/4885CDK4 494/4885

“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.