SCHEMBL10182912

SCHEMBL10182912

CC(C)(C)c1cnn2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.50
LRRK2 Q5S007 2/20 0.41
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
NLRP3 Q96P20 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL22435341 0.98 SSTR4 (0.49) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL25598688 0.98 SSTR4 (0.49) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL18179471 0.94 SSTR4 (0.45) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL21937741 0.80 SSTR4 (0.47) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL23762577 0.77 LRRK2 (0.35) SSTR4LRRK2CYP2D6
SCHEMBL23762860 0.76 LRRK2 (0.37) SSTR4LRRK2
SCHEMBL22031191 0.75 SSTR4 (0.43) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL6842210 0.75 CYP11B1 (0.44) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL18463619 0.75 DRD4 (0.42) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL12775909 0.74 DRD4 (0.46) SSTR4LRRK2DRD4DRD3CYP11B1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230301300-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20230286952-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US disclosed
US-20230286952-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US disclosed
US-20230279026-A1 NOVEL BICYCLIC SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2023-09-07 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20200247778-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-06 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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 (15 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SSTR4 2812/4885LRRK2 392/4885DRD4 1614/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B SSTR4 2657/4885LRRK2 1438/4885DRD4 266/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF SSTR4 4788/4885LRRK2 441/4885DRD4 4780/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SSTR4 2673/4885LRRK2 493/4885DRD4 1861/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 SSTR4 4810/4885LRRK2 329/4885DRD4 4417/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 SSTR4 4220/4885LRRK2 225/4885DRD4 4883/4885
US-20230279026-A1 NOVEL BICYCLIC SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 SSTR4 2698/4885LRRK2 612/4885DRD4 4796/4885
US-20230301300-A1 HERBICIDAL COMPOSITIONS GMDS, DDT, AADAC SSTR4 4635/4885LRRK2 1958/4885DRD4 1949/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SSTR4 2812/4885LRRK2 392/4885DRD4 1614/4885
US-20230286952-A1 HERBICIDAL COMPOUNDS DDT, ACHE, CAT SSTR4 2334/4885LRRK2 4306/4885DRD4 1608/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 SSTR4 4517/4885LRRK2 1205/4885DRD4 4452/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 SSTR4 1560/4885LRRK2 987/4885DRD4 482/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 SSTR4 4810/4885LRRK2 329/4885DRD4 4417/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP SSTR4 2673/4885LRRK2 493/4885DRD4 1861/4885
US-20200247778-A1 HERBICIDAL MIXTURES DDT, CBR3, AS3MT SSTR4 2795/4885LRRK2 2593/4885DRD4 271/4885

“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.