SCHEMBL2075321

SCHEMBL2075321

COc1ccc2c(c1)C(OC(=O)N1CCN(C3CCN(C)CC3)CC1)(c1cccnc1OC)C(=O)N2S(=O)(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.42
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
AVPR2 P30518 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1466144 0.97 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GAA
SCHEMBL1465457 0.92 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GAA
Hydrochloric Acid SCHEMBL1465456 0.92 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GAA
SCHEMBL1464971 0.90 AVPR1B (0.49) AVPR1BGAAALDH1A1
SCHEMBL1465119 0.87 AVPR1B (0.54) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL1464808 0.87 AVPR1B (0.51) AVPR1BOXTRAVPR1AAVPR2GAA
SCHEMBL1464931 0.86 AVPR1B (0.51) AVPR1BOXTRAVPR1AAVPR2GAA
SCHEMBL1465459 0.86 AVPR1B (0.47) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL1465038 0.86 AVPR1B (0.60) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL1464980 0.85 AVPR1B (0.36) AVPR1BGAAALDH1A1KDM4ELMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP claimed
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2017-02-23 US disclosed
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US disclosed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP disclosed
US-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-03 US disclosed
US-8580842-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-11-12 US disclosed
EP-2546251-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546250-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
EP-2546252-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP 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
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them AbbVie Deutschland GmbH & Co. KG (DE) 2007-08-09 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 (3 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-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885OXTR 1/4885AVPR1A 3/4885
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them OXTR, AVPR2, AVPR1A AVPR1B 4/4885OXTR 1/4885AVPR1A 3/4885
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885OXTR 1/4885AVPR1A 3/4885

“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.