SCHEMBL3843329

SCHEMBL3843329

Cc1ccc(CN)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
THRB P10828 4/20 0.35
THRA P10827 3/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
CARM1 Q86X55 1/20 0.34
ABAT P80404 1/20 0.33
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL3842617 0.84 TAAR1 (0.47) LMNAPNMT
SCHEMBL17880793 0.83 CSNK2A1 (0.44) CSNK2A1LMNAHRH3THRBTHRA
SCHEMBL19658033 0.83 CSNK2A1 (0.43) CSNK2A1LMNAHRH3LOXL2ABAT
SCHEMBL19365984 0.81 CYP1A2 (0.43) LMNATHRBTHRA
SCHEMBL2737191 0.79 GABRA1 (0.42) LMNATHRBTHRA
SCHEMBL3694809 0.78 LOXL2 (0.41) CSNK2A1HRH3LOXL2PNMT
SCHEMBL3098498 0.78 CSNK2A1 (0.51) CSNK2A1LOXL2PNMT
SCHEMBL10947856 0.78 THRA (0.47) LMNATHRBTHRAABATENPP2
SCHEMBL27102119 0.76 ESR1 (0.41) LMNATHRBTHRA
SCHEMBL27411609 0.76 LMNA (0.35) LMNATHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
CN-1301981-C Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO (JP) 2007-02-28 CN disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 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
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN 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
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 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 (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 CSNK2A1 515/4885LMNA 4521/4885HRH3 25/4885
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CSNK2A1 188/4885LMNA 1002/4885HRH3 146/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CSNK2A1 892/4885LMNA 4604/4885HRH3 17/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C CSNK2A1 480/4885LMNA 3850/4885HRH3 245/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C CSNK2A1 480/4885LMNA 3850/4885HRH3 245/4885

“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.