SCHEMBL4155828

SCHEMBL4155828

CC(C)(C)c1ccc(C2c3cccnc3OCCN2C(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.52
LHCGR P22888 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4143485 0.86 TRPM8 (0.49) TRPM8LHCGRHTR2AHTR2COPRK1
SCHEMBL3952561 0.84 TRPM8 (0.62) TRPM8LHCGRHTR2AHTR2COPRK1
SCHEMBL3955856 0.82 KDM4E (0.43) TRPM8LHCGRCYP2C8CYP2C9TSHR
SCHEMBL3954778 0.75 TRPM8 (0.41) TRPM8LHCGR
SCHEMBL4153376 0.74 TRPM8 (0.81) TRPM8
SCHEMBL4153378 0.74 TRPM8 (0.81) TRPM8
SCHEMBL3949067 0.69 TRPM8 (0.59) TRPM8LHCGRHTR2AHTR2COPRK1
SCHEMBL4067195 0.69 TRPM8 (1.00) TRPM8LHCGRHTR2AHTR2COPRK1
SCHEMBL4054683 0.69 TRPM8 (1.00) TRPM8LHCGRHTR2AHTR2COPRK1
SCHEMBL3062318 0.66 TRPM8 (0.77) TRPM8

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
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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 (1 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 TRPM8 203/4885LHCGR 3059/4885HTR2A 1137/4885

“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.