SCHEMBL1333036

SCHEMBL1333036

C[CH]C(C)c1ncccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
HRH1 P35367 1/20 0.36
S1PR3 Q99500 3/20 0.34
NFE2L2 Q16236 6/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
S1PR1 P21453 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2690693 0.83 S1PR3 (0.36) CYP2D6HRH1S1PR3NFE2L2S1PR1
SCHEMBL1690313 0.81 CYP2D6 (0.40) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL1332412 0.78 NOS3 (0.42) CYP2D6HRH1LMNASLC6A4
SCHEMBL28205012 0.78 CYP2D6 (0.39) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL21071356 0.78 CYP2D6 (0.45) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL22495173 0.78 CYP2D6 (0.45) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL30824549 0.78 CYP2D6 (0.45) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL27147342 0.78 CYP2D6 (0.45) CYP2D6HRH1S1PR3CYP2C19CYP1A2
SCHEMBL1331936 0.77 TRPM8 (0.36) ALDH1A1TDP1
SCHEMBL1331957 0.77 HDAC8 (0.31) ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-7799786-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 US disclosed
US-20080153835-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-06-26 US 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 (2 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-20080153835-A1 Therapeutic agents useful for treating pain CHRM2, CHRM1, MC1R CYP2D6 2022/4885HRH1 15/4885S1PR3 1392/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R CYP2D6 2022/4885HRH1 15/4885S1PR3 1392/4885

“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.