SCHEMBL3285405

SCHEMBL3285405

NC(Cc1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
DPP4 P27487 1/20 0.46
ANPEP P15144 3/20 0.44
CYP2D6 P10635 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
IDO1 P14902 2/20 0.42
LAP3 P28838 2/20 0.40

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
SCHEMBL3289204 0.98 DPP4 (0.49) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL10716724 0.98 DPP4 (0.49) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1735316 0.96 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1735295 0.96 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2469254 0.92 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Ammonia Solution, Strong SCHEMBL16268928 0.90 EPHX1 (0.52) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL9390743 0.81 ALDH1A1 (0.44) SLC6A2TAAR1SLC6A4SLC6A3ANPEP
SCHEMBL4880363 0.80 EPHX1 (0.42) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4880357 0.80 LMNA (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL10890023 0.79 EPHX1 (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 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-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 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
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP 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
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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 (3 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 EPHX1 715/4885SLC6A2 1302/4885TAAR1 173/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 EPHX1 678/4885SLC6A2 897/4885TAAR1 203/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C EPHX1 2666/4885SLC6A2 1606/4885TAAR1 99/4885

“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.