SCHEMBL1466434

SCHEMBL1466434

COc1ncccc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(I)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.52
AVPR1B P47901 6/20 0.52
OXTR P30559 5/20 0.52
AVPR2 P30518 3/20 0.52
BRD4 O60885 7/20 0.42
GPR65 Q8IYL9 1/20 0.39
IP6K1 Q92551 3/20 0.32
SNRNP200 O75643 3/20 0.31

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
SCHEMBL1465123 0.90 AVPR1B (0.62) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL2500531 0.84 BRD4 (0.43) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL2495313 0.78 AVPR1A (0.50) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL5345573 0.77 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL1465471 0.77 AVPR1B (0.85) AVPR1AAVPR1BOXTRAVPR2GPR65
Pyridine SCHEMBL5695603 0.77 AVPR1B (0.57) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL1465619 0.77 AVPR1A (0.62) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL5366688 0.77 AVPR1A (0.62) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL1466324 0.76 AVPR1A (0.63) AVPR1AAVPR1BOXTRAVPR2BRD4
SCHEMBL2501951 0.75 AVPR1A (0.54) AVPR1AAVPR1BOXTRAVPR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2546252-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-2546251-A1 Heteroaryl-substituted 1,3 dihydroindol-2-one derivatives and medicaments containing them Abbott GmbH & Co. KG (DE) 2013-01-16 EP disclosed
US-8350055-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
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
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
EP-1667993-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM Abbott GmbH & Co. KG (DE) 2006-06-14 EP disclosed
WO-2005030755-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2005-04-07 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 (5 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 AVPR1A 3/4885AVPR1B 4/4885OXTR 1/4885
US-20140187543-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1A 3/4885AVPR1B 4/4885OXTR 1/4885
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them OXTR, AVPR2, AVPR1A AVPR1A 3/4885AVPR1B 4/4885OXTR 1/4885
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1A 3/4885AVPR1B 4/4885OXTR 1/4885
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1A 3/4885AVPR1B 4/4885OXTR 1/4885

“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.