SCHEMBL2743005

SCHEMBL2743005

Cc1cc(N2CCN[C@H](C)C2)nnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
BCL2A1 Q16548 2/20 0.38
KHK P50053 1/20 0.38
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
KIT P10721 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ACVR1 Q04771 1/20 0.36
CHRNB2 P17787 2/20 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
SCHEMBL3714117 1.00 TRPV1 (0.46) TRPV1ALDH1A1LMNAHRH4BCL2A1
SCHEMBL27928259 0.85 KHK (0.41) TRPV1ALDH1A1LMNAHRH4BCL2A1
SCHEMBL8339191 0.80 BPTF (0.53) ALDH1A1HRH4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8327953 0.78 BPTF (0.51) ALDH1A1HRH4CHRNB2CHRNA4
SCHEMBL8339762 0.77 TRPV1 (0.43) TRPV1HRH4
SCHEMBL9214403 0.76 BPTF (0.61) ALDH1A1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL10444872 0.75 ALDH1A1 (0.34) ALDH1A1LMNAHRH4BCL2A1PRKCQ
SCHEMBL23523531 0.75 KIT (0.43) ALDH1A1LMNAHRH4BCL2A1PRKCQ
SCHEMBL20898677 0.75 KIT (0.43) ALDH1A1LMNAHRH4BCL2A1PRKCQ
SCHEMBL20905784 0.75 KIT (0.43) ALDH1A1LMNAHRH4BCL2A1PRKCQ

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 287/4885ALDH1A1 965/4885LMNA 3216/4885
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885ALDH1A1 965/4885LMNA 3216/4885
US-20140142112-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885ALDH1A1 965/4885LMNA 3216/4885
US-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 TRPV1 287/4885ALDH1A1 965/4885LMNA 3216/4885

“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.