SCHEMBL4408372

SCHEMBL4408372

COc1ccc(F)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.56
CYP3A4 P08684 1/20 0.42
HTR7 P34969 2/20 0.39
TNF P01375 2/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GPR6 P46095 1/20 0.36

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
SCHEMBL4087502 0.81 AVPR1B (0.62) AVPR1BCYP3A4HTR7
SCHEMBL4077589 0.79 AVPR1B (0.90) AVPR1BCYP3A4
SCHEMBL4085615 0.79 AVPR1B (0.59) AVPR1BCYP3A4
SCHEMBL4080681 0.73 AVPR1B (0.88) AVPR1BCYP3A4
SCHEMBL2885086 0.73 AVPR1B (0.51) AVPR1BTNF
SCHEMBL4085601 0.72 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL4081698 0.70 AVPR1B (0.92) AVPR1BCYP3A4
SCHEMBL4077879 0.70 AVPR1B (0.92) AVPR1BCYP3A4
SCHEMBL4087661 0.69 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL2889009 0.69 AVPR1B (0.83) AVPR1BCYP3A4

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-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B AVPR1B 3/4885CYP3A4 3668/4885HTR7 155/4885

“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.