SCHEMBL1696358

SCHEMBL1696358

CCc1ccc(CN)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
BACE1 P56817 1/20 0.47
DHFR P00374 1/20 0.46
PSIP1 O75475 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL13443568 0.93 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL14864128 0.93 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL10732579 0.84 BACE1 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL15591097 0.84 BACE1 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL10269089 0.82 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL444673 0.82 TRPA1 (0.48) BACE1DHFRGAATAAR1CA2
SCHEMBL15676714 0.82 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL3847706 0.82 BACE1 (0.69) BACE1DHFRGAATAAR1PNMT
SCHEMBL14662160 0.82 DHFR (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL2037286 0.82 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1

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
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 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
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 515/4885CSNK2A2 538/4885CSNK2B 569/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CSNK2A1 892/4885CSNK2A2 886/4885CSNK2B 983/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 CSNK2A1 1076/4885CSNK2A2 1333/4885CSNK2B 1628/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C CSNK2A1 480/4885CSNK2A2 420/4885CSNK2B 567/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C CSNK2A1 480/4885CSNK2A2 420/4885CSNK2B 567/4885

“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.