SCHEMBL3842079

SCHEMBL3842079

Cc1cccc(C)c1CCN

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.56
HTR1D P28221 1/20 0.52
HTR2A P28223 3/20 0.46
HTR7 P34969 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2A6 P11509 3/20 0.42
CYP1A2 P05177 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
CD44 P16070 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL9865392 0.87 TAAR1 (0.48) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL6952951 0.86 TAAR1 (0.65) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL22520955 0.86 TAAR1 (0.59) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL6911045 0.84 TAAR1 (0.47) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL15650236 0.84 TAAR1 (0.47) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL8093986 0.83 CYP2A6 (0.47) TAAR1HTR1DMAPTCYP2A6CYP1A2
Methyl Alcohol SCHEMBL11281499 0.83 TAAR1 (0.61) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL19289736 0.83 TAAR1 (0.55) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
Cyclohexane SCHEMBL10506019 0.81 TAAR1 (0.59) TAAR1HTR1DHTR2AHTR7SMN1; SMN2
SCHEMBL19289757 0.81 GABRA1 (0.48) TAAR1HTR1DHTR2AHTR7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-24 US disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
WO-2016023028-A2 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-02-11 WO disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-6916806-B2 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2005-07-12 US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-4956346-A URIDINE DERIVATIVES AS VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4886785-A VIRICIDES, HERPES SIMPLEX HOFFMANN-LA ROCHE INC. (US) 1989-12-12 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 (5 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TAAR1 173/4885HTR1D 170/4885HTR2A 206/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 TAAR1 4613/4885HTR1D 4143/4885HTR2A 4159/4885
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same GRK2, GRK4, GRK5 TAAR1 844/4885HTR1D 1060/4885HTR2A 475/4885
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK5 TAAR1 844/4885HTR1D 1060/4885HTR2A 475/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR1D 7/4885HTR2A 8/4885

“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.