SCHEMBL1465596

SCHEMBL1465596

CCOc1ccccc1C1(NC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.47
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 4/20 0.39
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL1466238 0.92 AVPR1B (0.48) AVPR1BTSHRGAALMNAALDH1A1
SCHEMBL16857940 0.92 AVPR1B (0.46) AVPR1BTSHRGAALMNAALDH1A1
SCHEMBL1796590 0.90 AVPR1B (0.43) AVPR1BGAAHTTOXTRAVPR1A
Hydrochloric Acid SCHEMBL1466591 0.89 AVPR1B (0.39) AVPR1BKMT2AMAPTMAPK1OXTR
SCHEMBL1795394 0.88 AVPR1B (0.43) AVPR1BHTTOXTRAVPR1A
Hydrochloric Acid SCHEMBL1799722 0.87 AVPR1B (0.39) AVPR1BALDH1A1KMT2AMEN1MAPT
SCHEMBL1466321 0.87 AVPR1B (0.47) AVPR1BTSHRGAALMNAALDH1A1
SCHEMBL1798769 0.86 AVPR1B (0.40) AVPR1BHTTOXTRAVPR1A
SCHEMBL1465490 0.85 SMN1; SMN2 (0.38) AVPR1BTSHRGAALMNAALDH1A1
Hydrochloric Acid SCHEMBL1794909 0.85 AVPR1B (0.47) AVPR1BOXTRAVPR1A

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-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-31 US disclosed
US-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-24 US disclosed
US-7902379-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2011-03-08 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-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885TSHR 336/4885GAA 4553/4885
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885TSHR 336/4885GAA 4553/4885

“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.