SCHEMBL2680155

SCHEMBL2680155

COc1ccccc1[C@]1(N(C)C(C)C(=O)N(C)C)C(=O)N(S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.40
OXTR P30559 4/20 0.35
AVPR1A P37288 4/20 0.35
AVPR2 P30518 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
AKR1B1 P15121 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2679299 1.00 AVPR1B (0.40) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2680531 0.94 AVPR1B (0.40) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2679972 0.94 AVPR1B (0.40) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2678838 0.93 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2679018 0.93 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2678994 0.89 AVPR1B (0.41) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2679392 0.89 AVPR1B (0.41) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2679404 0.85 AVPR1B (0.56) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2678987 0.85 AVPR1B (0.56) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2680157 0.82 AVPR1B (0.38) AVPR1BOXTRAVPR1AAVPR2GPR65

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-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 US disclosed
EP-1831197-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-09-12 EP disclosed
WO-2006072458-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2006-07-13 WO 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-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885OXTR 1/4885AVPR1A 4/4885

“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.