SCHEMBL4859978

SCHEMBL4859978

CCNC1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.55
SIGMAR1 Q99720 2/20 0.52
DRD3 P35462 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
IDO1 P14902 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
FYN P06241 1/20 0.42

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 SCHEMBL1026811 0.98 GRIN2B (0.53) GRIN2BSIGMAR1DRD3DRD2DRD4
Benzene SCHEMBL27334501 0.96 GRIN2B (0.56) GRIN2BSIGMAR1DRD3DRD2DRD4
SCHEMBL10293234 0.86 MAOA (0.68) GRIN2BSIGMAR1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL7383661 0.85 MAOA (0.66) GRIN2BSIGMAR1DRD3DRD2DRD4
SCHEMBL14198148 0.84 DRD2 (0.49) GRIN2BSIGMAR1DRD3DRD2DRD4
SCHEMBL1792787 0.83 GRIN2B (0.61) GRIN2BSIGMAR1DRD3DRD2DRD4
SCHEMBL10533911 0.82 DRD2 (0.48) GRIN2BDRD3DRD2DRD4MTNR1A
Hydrochloric Acid SCHEMBL10616548 0.81 DRD2 (0.47) GRIN2BDRD3DRD2DRD4MTNR1A
SCHEMBL5203096 0.78 GRIN2B (0.52) GRIN2BSIGMAR1MAOAMAOB
SCHEMBL23378804 0.78 DRD2 (0.44) GRIN2BSIGMAR1DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
WO-2022120207-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-09 WO disclosed
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 WO disclosed
US-20200345804-A1 NOVEL AGENTS TARGETING INHIBITOR OF APOPTOSIS PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-05 US disclosed
WO-2019195278-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (8 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 GRIN2B 1412/4885SIGMAR1 2780/4885DRD3 991/4885
US-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI GRIN2B 3559/4885SIGMAR1 2868/4885DRD3 1909/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 GRIN2B 1412/4885SIGMAR1 2780/4885DRD3 991/4885
US-20200345804-A1 NOVEL AGENTS TARGETING INHIBITOR OF APOPTOSIS PROTEINS XIAP, BIRC2, BIRC5 GRIN2B 4580/4885SIGMAR1 4429/4885DRD3 4820/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE GRIN2B 2343/4885SIGMAR1 4414/4885DRD3 1490/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 GRIN2B 4541/4885SIGMAR1 4523/4885DRD3 4058/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 GRIN2B 2776/4885SIGMAR1 2970/4885DRD3 4458/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF GRIN2B 4166/4885SIGMAR1 2716/4885DRD3 3081/4885

“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.