SCHEMBL2622209

SCHEMBL2622209

C[C@H](NC(C)(C)C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.59
CHRM1 P11229 2/20 0.59
ADRA1A P35348 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
SLC6A4 P31645 2/20 0.59
CACNA1F O60840 1/20 0.59
ADRA2B P18089 1/20 0.59
CHRM3 P20309 1/20 0.59
HRH1 P35367 1/20 0.59
OPRK1 P41145 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59
SCN5A Q14524 1/20 0.59
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 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
SCHEMBL2622208 1.00 CHRM2 (0.59) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL8260622 1.00 CHRM2 (0.59) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL22845470 0.82 OPRK1 (0.47) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL6544199 0.82 CHRM2 (0.55) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL6226291 0.80 CHRM2 (0.44) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL10315775 0.79 SMN1; SMN2 (0.39) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL11059931 0.79 MEN1 (0.45) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL8254526 0.79 SMN1; SMN2 (0.39) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL8259486 0.79 SMN1; SMN2 (0.39) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL14469645 0.79 OPRK1 (0.47) CHRM2CHRM1ADRA1ASLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (7 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 CHRM2 1027/4885CHRM1 974/4885ADRA1A 2011/4885
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 CHRM2 4881/4885CHRM1 4844/4885ADRA1A 4551/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CHRM2 284/4885CHRM1 186/4885ADRA1A 1111/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 CHRM2 674/4885CHRM1 330/4885ADRA1A 24/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CHRM2 4483/4885CHRM1 4156/4885ADRA1A 2366/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CHRM2 284/4885CHRM1 186/4885ADRA1A 1111/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 CHRM2 4862/4885CHRM1 4803/4885ADRA1A 4673/4885

“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.