SCHEMBL2076486

SCHEMBL2076486

COc1ccc2c(c1)C(OC(=O)N1CCN(C3CCN(C)CC3)CC1)(c1ccccc1OC(C)C)C(=O)N2S(=O)(=O)c1cc(C)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.38
ADRA1D P25100 8/20 0.38
ADRA1A P35348 8/20 0.38
ADRA1B P35368 8/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
AVPR1B P47901 2/20 0.33
AVPR2 P30518 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 1/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 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
Hydrochloric Acid SCHEMBL1465079 0.99 DRD2 (0.37) DRD2ADRA1DADRA1AADRA1BGAA
SCHEMBL1799702 0.92 DRD2 (0.42) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1465514 0.91 ALDH1A1 (0.38) GAALMNAALDH1A1KDM4EAVPR1B
Hydrochloric Acid SCHEMBL1465513 0.91 ALDH1A1 (0.38) GAALMNAALDH1A1KDM4EAVPR1B
Hydrochloric Acid SCHEMBL1794245 0.90 DRD2 (0.39) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1464990 0.90 ALDH1A1 (0.36) GAALMNAALDH1A1KDM4EOXTR
Hydrochloric Acid SCHEMBL1796945 0.90 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BKDM4E
SCHEMBL1797246 0.90 KDM4E (0.41) DRD2ADRA1DADRA1AADRA1BGAA
Hydrochloric Acid SCHEMBL1464987 0.90 ALDH1A1 (0.35) GAALMNAALDH1A1KDM4EOXTR
SCHEMBL1795727 0.89 DRD2 (0.42) DRD2ADRA1DADRA1AADRA1BALDH1A1

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 10 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
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
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 (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 DRD2 16/4885ADRA1D 18/4885ADRA1A 35/4885
US-20070185126-A1 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing Them OXTR, AVPR2, AVPR1A DRD2 15/4885ADRA1D 19/4885ADRA1A 34/4885
US-20170050959-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A DRD2 16/4885ADRA1D 18/4885ADRA1A 35/4885

“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.