SCHEMBL75804

SCHEMBL75804

CCOc1ccccc1C1(C(=O)NN2CCN(c3ccc(C#N)cn3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.48
SLC6A9 P48067 1/20 0.38
GPR6 P46095 1/20 0.36
CYP3A4 P08684 2/20 0.36
PKM P14618 1/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL74385 0.95 AVPR1B (0.48) AVPR1BSLC6A9CYP3A4PARP1
SCHEMBL75609 0.90 AVPR1B (0.55) AVPR1BCYP3A4
SCHEMBL74615 0.90 AVPR1B (0.48) AVPR1BSLC6A9CYP3A4
SCHEMBL75630 0.90 AVPR1B (0.47) AVPR1BSLC6A9CYP3A4
SCHEMBL75346 0.90 AVPR1B (0.59) AVPR1BSLC6A9GPR6CYP3A4
SCHEMBL74208 0.89 AVPR1B (0.62) AVPR1BCYP3A4
SCHEMBL76769 0.88 AVPR1B (0.46) AVPR1BSLC6A9CYP3A4
SCHEMBL4510731 0.87 AVPR1B (0.45) AVPR1BSLC6A9CYP3A4
SCHEMBL75165 0.86 AVPR1B (0.48) AVPR1BSLC6A9CYP3A4PARP1PARP2
SCHEMBL74740 0.86 AVPR1B (0.45) 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 4 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-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-31 US disclosed
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 (2 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 2917/4885GPR6 2274/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B AVPR1B 3/4885SLC6A9 2917/4885GPR6 2274/4885

“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.