SCHEMBL1333758

SCHEMBL1333758

C[CH]C(C)c1ncccc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
CTH P32929 1/20 0.32
NFE2L2 Q16236 4/20 0.32
CNR1 P21554 1/20 0.31
MPI P34949 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9963324 0.81 CYP2D6 (0.40) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL1332412 0.78 NOS3 (0.42) CYP2D6CHRM1HRH1KCNH2KDM4E
SCHEMBL442860 0.77 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL22623952 0.77 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL12363971 0.77 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL1333036 0.77 CYP2D6 (0.36) CYP2D6HRH1NFE2L2ALDH1A1
SCHEMBL1333769 0.77 ALDH1A1 (0.38) CHRM1KDM4EL3MBTL1PDK2ALDH1A1
SCHEMBL1331957 0.77 HDAC8 (0.31) KDM4EPDK2ALDH1A1
SCHEMBL1331936 0.77 TRPM8 (0.36) TRPM8KDM4EPDK2ALDH1A1
SCHEMBL25211250 0.76 TRPM8 (0.41) CYP2D6CHRM1HRH1KCNH2TRPM8

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 2022/4885CHRM1 2/4885HRH1 15/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R CYP2D6 2022/4885CHRM1 2/4885HRH1 15/4885

“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.