SCHEMBL75353

SCHEMBL75353

CCOc1ccccc1C1(OC(=O)N2CCN(c3nccs3)CC2)C(=O)N(S(=O)(=O)c2ccccc2F)c2ccc(C#N)cc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.47
SLC6A9 P48067 6/20 0.40
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 3/20 0.34

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
SCHEMBL73905 0.95 AVPR1B (0.47) AVPR1BSLC6A9CYP3A4
SCHEMBL76062 0.93 AVPR1B (0.53) AVPR1BSLC6A9CYP3A4
SCHEMBL74186 0.92 AVPR1B (0.48) AVPR1BSLC6A9CYP3A4
SCHEMBL4502606 0.91 AVPR1B (0.53) AVPR1BSLC6A9
SCHEMBL4501276 0.89 AVPR1B (0.44) AVPR1BSLC6A9CYP3A4
SCHEMBL74334 0.89 AVPR1B (0.46) AVPR1BSLC6A9CYP3A4
SCHEMBL74123 0.89 AVPR1B (0.59) AVPR1BSLC6A9CYP3A4
SCHEMBL74162 0.89 AVPR1B (0.61) AVPR1BCYP3A4
SCHEMBL75454 0.88 AVPR1B (0.48) AVPR1BSLC6A9
SCHEMBL74185 0.84 AVPR1B (0.59) AVPR1BSLC6A9CYP3A4

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-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US claimed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885SLC6A9 2917/4885CYP3A4 2738/4885

“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.