SCHEMBL2680157

SCHEMBL2680157

COc1ccccc1C1(CNC(C)C(=O)N(C)C)C(=O)N(S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OXTR P30559 4/20 0.34
AVPR1A P37288 4/20 0.34
AVPR2 P30518 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 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
SCHEMBL2679297 1.00 AVPR1B (0.38) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2679975 0.94 AVPR1B (0.38) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2679970 0.94 AVPR1B (0.38) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2678833 0.93 AVPR1B (0.43) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2679024 0.93 AVPR1B (0.43) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2678992 0.90 AVPR1B (0.39) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2678997 0.90 AVPR1B (0.39) AVPR1BMEN1KMT2AOXTRAVPR1A
SCHEMBL2678991 0.86 AVPR1B (0.53) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL2678985 0.86 AVPR1B (0.53) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL1464984 0.82 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2

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 1 patent. 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

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 3/4885MEN1 436/4885KMT2A 3806/4885

“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.