SCHEMBL2743006

SCHEMBL2743006

Cc1cc(Cl)nnc1N1CCN[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
HRH4 Q9H3N8 2/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KIT P10721 1/20 0.39
BCL2A1 Q16548 2/20 0.38
KHK P50053 1/20 0.38
BPTF Q12830 1/20 0.36
PRKCI P41743 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 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
SCHEMBL3004811 0.85 KIT (0.41) TRPV1HRH4MAPK13MAPK12MAPK11
SCHEMBL8339118 0.81 BPTF (0.50) TRPV1HRH4ALDH1A1BPTFHTR2A
SCHEMBL13407135 0.77 TRPV1 (0.52) TRPV1HRH4BPTF
SCHEMBL1140803 0.76 HRH4 (0.40) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL1140801 0.76 HRH4 (0.40) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL18081052 0.75 ALDH1A1 (0.45) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL18038795 0.75 ALDH1A1 (0.45) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL18038793 0.75 ALDH1A1 (0.45) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL20135002 0.75 KIT (0.43) HRH4MAPK13MAPK12MAPK11MAPK14
SCHEMBL29688471 0.75 KIT (0.43) HRH4MAPK13MAPK12MAPK11MAPK14

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434721-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-09-06 US disclosed
US-9434721-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-09-06 US disclosed
US-20140142112-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2014-05-22 US disclosed
US-20140142112-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2014-05-22 US disclosed
US-8536177-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2013-09-17 US disclosed
US-8536177-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2013-09-17 US disclosed
US-20120015954-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2012-01-19 US disclosed
US-20120015954-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2012-01-19 US disclosed
US-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2012-01-05 US disclosed
US-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2012-01-05 US disclosed
US-8008300-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-08-30 US disclosed
US-8008300-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-08-30 US disclosed
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-01-07 US disclosed
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-01-07 US disclosed
US-7582635-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. 2009-09-01 US disclosed
EP-1583763-B1 BENZOAZOLYLPIPERAZINE DERIVATIVES HAVING VR1-ANTAGONIST ACTIVITY EURO CELTIQUE SA (LU) 2008-03-26 EP disclosed
WO-2004058754-A1 BENZOAZOLYPIPERAZINE DERIVATIVES HAVING MGLUR1- AND MGLUR5-ANTAGONISTIC ACTIVITY EURO-CELTIQUE S.A. (LU) 2004-07-15 WO 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-20120015954-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885HRH4 14/4885MAPK13 2539/4885
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885HRH4 14/4885MAPK13 2539/4885
US-20140142112-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885HRH4 14/4885MAPK13 2539/4885
US-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885HRH4 14/4885MAPK13 2539/4885

“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.