SCHEMBL3949067

SCHEMBL3949067

CC(C)(C)c1ccc(C2c3cccnc3CCCN2C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.59
LHCGR P22888 4/20 0.55
OPRK1 P41145 2/20 0.55
TMEM97 Q5BJF2 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
CYP2C8 P10632 2/20 0.53
CYP2C9 P11712 2/20 0.53
TSHR P16473 2/20 0.53
KCNH2 Q12809 2/20 0.53
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
P2RY1 P47900 1/20 0.42

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
SCHEMBL3952561 0.85 TRPM8 (0.62) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL3957075 0.85 LHCGR (0.51) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL4143485 0.84 TRPM8 (0.49) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL3954029 0.79 KDM4E (0.42) TRPM8ALDH1A1PKM
SCHEMBL3955850 0.78 KDM4E (0.41) TRPM8ALDH1A1PKM
SCHEMBL4055756 0.77 MAPT (0.45) TRPM8ALDH1A1
SCHEMBL3949101 0.76 KDM4E (0.42) TRPM8ALDH1A1PKM
SCHEMBL4048954 0.75 MAPT (0.51) TRPM8KCNH2ALDH1A1
SCHEMBL4067195 0.74 TRPM8 (1.00) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL4054683 0.74 TRPM8 (1.00) TRPM8LHCGROPRK1TMEM97SIGMAR1

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 3059/4885OPRK1 18/4885

“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.