SCHEMBL1466476

SCHEMBL1466476

CCOc1ccccc1C1(NC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2cc(C)sc2C)c2ccc(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
AVPR1A P37288 1/20 0.34
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.34
CCR3 P51677 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1796978 0.92 AVPR1B (0.43) AVPR1BAVPR1ACCR3ALDH1A1HPGD
SCHEMBL16857942 0.91 AVPR1B (0.37) AVPR1BGAALMNAAVPR1AALDH1A1
SCHEMBL1799770 0.90 AVPR1B (0.46) AVPR1BAVPR1A
SCHEMBL1794935 0.89 AVPR1B (0.42) AVPR1BLMNAAVPR1AALDH1A1
Hydrochloric Acid SCHEMBL1800690 0.88 AVPR1B (0.42) AVPR1BAVPR1ACCR3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1797899 0.88 AVPR1B (0.39) AVPR1BMTNR1BMTNR1ACCR3ALDH1A1
SCHEMBL1465296 0.88 AVPR1B (0.38) AVPR1BGAALMNAMTNR1BALDH1A1
SCHEMBL1465538 0.88 GAA (0.38) AVPR1BGAAAVPR1AMTNR1BMTNR1A
Hydrochloric Acid SCHEMBL1799042 0.87 AVPR1B (0.46) AVPR1BAVPR1ACCR3
SCHEMBL1465263 0.87 AVPR1B (0.39) AVPR1BGAAMTNR1BMTNR1ACCR3

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 4/4885GAA 4553/4885LMNA 3137/4885
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885GAA 4553/4885LMNA 3137/4885

“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.