SCHEMBL3750890

SCHEMBL3750890

NCc1ccccc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PNMT P11086 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NAAA Q02083 1/20 0.40
DPP4 P27487 2/20 0.38
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HTR2A P28223 4/20 0.37
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PTGS2 P35354 1/20 0.36
RET P07949 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35

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
Hydrochloric Acid SCHEMBL3756190 0.98 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PNMTPTGDR2
SCHEMBL3745489 0.98 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3PNMTPTGDR2
Hydrochloric Acid SCHEMBL13268822 0.96 PTGDR2 (0.41) SLC6A2SLC6A4SLC6A3PNMTPTGDR2
SCHEMBL12954599 0.96 PNMT (0.40) SLC6A2SLC6A4SLC6A3PNMTPTGDR2
Hydrochloric Acid SCHEMBL15921931 0.94 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PNMTPTGDR2
SCHEMBL5450499 0.91 PNMT (0.43) SLC6A2SLC6A4SLC6A3PNMTDPP4
Hydrochloric Acid SCHEMBL18336575 0.89 PNMT (0.41) SLC6A2SLC6A4SLC6A3PNMTDPP4
SCHEMBL20840816 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3842826 0.84 HTR2A (0.49) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL30607690 0.82 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3PNMTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
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
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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 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
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 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
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
WO-2004005267-A1 HETEROARYL COMPOUNDS USEFUL IN TREATING INFLAMMATORY DISORDERS 2004-01-15 WO 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 (4 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 SLC6A2 1302/4885SLC6A4 1226/4885SLC6A3 2642/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 SLC6A2 897/4885SLC6A4 1020/4885SLC6A3 2507/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SLC6A2 1069/4885SLC6A4 2169/4885SLC6A3 1582/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C SLC6A2 1606/4885SLC6A4 1395/4885SLC6A3 1106/4885

“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.