SCHEMBL2603281

SCHEMBL2603281

CC(C)N1CCCC(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.55
PRMT6 Q96LA8 2/20 0.55
HRH3 Q9Y5N1 2/20 0.53
KCNH2 Q12809 2/20 0.53
CCR3 P51677 1/20 0.45
ADRA2A P08913 4/20 0.45
HTR2A P28223 4/20 0.45
ADRA1A P35348 4/20 0.45
GRIN2B Q13224 4/20 0.45
GRIN1 Q05586 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR2B P41595 3/20 0.45
GRIN2D O15399 2/20 0.45
HTR1A P08908 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2C Q14957 2/20 0.45
LMNA P02545 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45

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
SCHEMBL2603279 0.90 HRH3 (0.59) CARM1PRMT6HRH3KCNH2CCR3
SCHEMBL12031715 0.86 CARM1 (0.41) CARM1PRMT6HRH3KCNH2CCR3
SCHEMBL21216483 0.85 CYP2D6 (0.50) KCNH2CCR3CYP2D6
SCHEMBL14983625 0.85 CYP2D6 (0.50) KCNH2CCR3CYP2D6
SCHEMBL21216481 0.85 CYP2D6 (0.50) KCNH2CCR3CYP2D6
SCHEMBL15981158 0.83 HRH3 (0.54) HRH3KCNH2CCR3ADRA2AHTR2A
SCHEMBL12255644 0.83 CHRM2 (0.49) HRH3
SCHEMBL22623993 0.83 PDE9A (0.44) KCNH2CCR3SIGMAR1DRD2DRD3
SCHEMBL19440444 0.80 AGTR2 (0.41) CARM1PRMT6HRH3KCNH2
SCHEMBL2606112 0.80 CARM1 (0.64) CARM1PRMT6HRH3KCNH2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
US-7265145-B2 Substituted piperidines and pyrrolidines as calcium sensing receptor modulators and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 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 (10 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 CARM1 1827/4885PRMT6 2043/4885HRH3 3373/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR CARM1 3947/4885PRMT6 2481/4885HRH3 446/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CARM1 3218/4885PRMT6 2024/4885HRH3 2523/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CARM1 2819/4885PRMT6 2440/4885HRH3 3307/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 CARM1 1328/4885PRMT6 787/4885HRH3 4514/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB CARM1 2948/4885PRMT6 1563/4885HRH3 554/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CARM1 361/4885PRMT6 314/4885HRH3 1340/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 CARM1 3480/4885PRMT6 3556/4885HRH3 4163/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CARM1 3218/4885PRMT6 2024/4885HRH3 2523/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CARM1 2819/4885PRMT6 2440/4885HRH3 3307/4885

“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.