SCHEMBL12848845

SCHEMBL12848845

CCOCc1sc2ccccc2c1CBr

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
NPY1R P25929 12/20 0.36
PTPN1 P18031 1/20 0.36
CNR2 P34972 3/20 0.35
GPR3 P46089 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CNR1 P21554 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
SCHEMBL14035764 0.82 HRH1 (0.41) NPY1RPTPN1CYP2D6CHRM1HTR2A
SCHEMBL9394591 0.82 CNR2 (0.43) LOXL2NPY1RPTPN1CNR2GPR3
SCHEMBL14035702 0.81 LOXL2 (0.39) LOXL2NPY1RPTPN1CNR2GPR3
SCHEMBL22263115 0.79 GPR3 (0.46) LOXL2NPY1RPTPN1CNR2GPR3
SCHEMBL717815 0.76 CNR2 (0.34) PLK1LOXL2CNR2CYP2D6CHRM1
SCHEMBL29513021 0.69 ALDH1A1 (0.59) PLK1
SCHEMBL22909024 0.69 ALDH1A1 (0.59) PLK1
SCHEMBL23132153 0.69 GPR3 (0.46) LOXL2GPR3CYP2D6CHRM1HTR2A
SCHEMBL31499102 0.69 GPR3 (0.46) LOXL2GPR3CYP2D6CHRM1HTR2A
SCHEMBL14045624 0.69 CNR2 (0.46) LOXL2NPY1RPTPN1CNR2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 PLK1 3507/4885LOXL2 2047/4885NPY1R 213/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 PLK1 3507/4885LOXL2 2047/4885NPY1R 213/4885

“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.