SCHEMBL2003000

SCHEMBL2003000

C=Cc1ccc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
ALDH1A1 P00352 5/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 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
SCHEMBL8134230 0.89 MAPT (0.50) DRD2DRD4ALDH1A1ATMMAPT
SCHEMBL31072155 0.85 DRD2 (0.40) DRD2DRD4ALDH1A1MAPTTP53
Tert-Butyl Formate SCHEMBL27958812 0.84 DRD2 (0.40) DRD2DRD4ALDH1A1ATMMAPT
SCHEMBL22982721 0.81 DRD2 (0.53) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL698531 0.81 DRD2 (0.53) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL16556911 0.80 ALDH1A1 (0.40) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL22189791 0.75 PARP10 (0.58) KDM4E
SCHEMBL12803378 0.74 TRPV1 (0.41) ALDH1A1ATMMAPTKDM4ECA12
SCHEMBL650280 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1ATMMAPT
SCHEMBL22119861 0.73 PDE3B (0.52) ALDH1A1MAPTCA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 WO disclosed
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP 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 (1 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB DRD2 4104/4885DRD4 4264/4885ALDH1A1 902/4885

“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.