SCHEMBL694208

SCHEMBL694208

[c]1cccc(-n2cccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
AOC2 O75106 2/20 0.32
NSD2 O96028 1/20 0.31
GRK2 P25098 1/20 0.31

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
SCHEMBL2879045 0.77 CYP1A2 (0.36) MAPTCYP1A2
SCHEMBL2871499 0.76 CYP3A4 (0.60) MAPTGAAMEN1CYP1A2KMT2A
SCHEMBL541280 0.73 L3MBTL1 (0.41) MAPTKDM4EGAANPSR1L3MBTL1
SCHEMBL3606736 0.73 L3MBTL1 (0.37) MAPTKDM4EGAANPSR1L3MBTL1
SCHEMBL27647242 0.73 ALDH1A1 (0.35) MAPTKDM4EALDH1A1MEN1CYP1A2
SCHEMBL60890 0.72 VHL (0.44) MAPTVHLELOCELOBKDM4E
SCHEMBL160644 0.71 PRMT6 (0.42) MAPTKDM4EGAANPSR1L3MBTL1
SCHEMBL28367019 0.69 CYP2E1 (0.33)
SCHEMBL2184068 0.69 CYP2E1 (0.54) CYP1A2
SCHEMBL160432 0.69 NOTUM (0.48) MAPTKDM4EGAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US claimed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP claimed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
CN-101448785-A Novel dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LAB LTD (IN) 2009-06-03 CN claimed
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP claimed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
EP-1041980-A4 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO claimed
EP-1041980-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP claimed
US-6011059-A PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US claimed
WO-1999033460-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-08 WO claimed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP claimed
CN-1037141-A The alkylamine derivative that replaces BANYU PHARMA CO LTD (JP) 1989-11-15 CN claimed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP claimed

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-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 MAPT 531/4885VHL 1567/4885ELOC 3692/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MAPT 4519/4885VHL 2227/4885ELOC 3090/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 MAPT 531/4885VHL 1567/4885ELOC 3692/4885

“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.