SCHEMBL230258

SCHEMBL230258

C[C](C)Cc1nccnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.31
NPC1 O15118 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL26046044 0.83 PDE4A (0.34) PDE4ANPC1RAB9A
SCHEMBL4520765 0.76 GABRR1 (0.41) PDE4APOLB
SCHEMBL230823 0.74 P2RX7 (0.33)
SCHEMBL5114086 0.74 PDE3B (0.37)
SCHEMBL23374468 0.74 HTT (0.34) PDE4A
SCHEMBL1808064 0.74 PDE4A (0.33) PDE4A
SCHEMBL1808065 0.74 NPC1 (0.34) PDE4ANPC1RAB9A
SCHEMBL5419514 0.73
SCHEMBL400853 0.73
SCHEMBL1333874 0.73

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 15 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-8604037-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2013-12-10 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-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2012-01-05 US disclosed
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-8008300-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-08-30 US disclosed
US-7799786-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 US disclosed
EP-1810970-B1 Therapeutic piperazine compounds EURO CELTIQUE SA (LU) 2010-05-12 EP 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
US-20080153835-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-06-26 US disclosed
EP-1583763-B1 BENZOAZOLYLPIPERAZINE DERIVATIVES HAVING VR1-ANTAGONIST ACTIVITY EURO CELTIQUE SA (LU) 2008-03-26 EP disclosed
EP-1556354-B1 THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-01-23 EP disclosed
US-7279493-B2 cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell EURO-CELTIQUE S.A. 2007-10-09 US 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 (5 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 PDE4A 2569/4885NPC1 1278/4885GAA 1603/4885
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 PDE4A 2569/4885NPC1 1278/4885GAA 1603/4885
US-20080153835-A1 Therapeutic agents useful for treating pain CHRM2, CHRM1, MC1R PDE4A 2257/4885NPC1 2203/4885GAA 1471/4885
US-20120004217-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 PDE4A 2569/4885NPC1 1278/4885GAA 1603/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R PDE4A 2257/4885NPC1 2203/4885GAA 1471/4885

“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.