SCHEMBL3955856

SCHEMBL3955856

CC(C)(C)c1ccc(C2c3cccnc3OCCN2C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
P2RX7 Q99572 14/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
LHCGR P22888 1/20 0.40
KCNH2 Q12809 1/20 0.40

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 0.85 TRPM8 (0.49) P2RX7TRPM8CYP2C8CYP2C9TSHR
SCHEMBL3957075 0.84 LHCGR (0.51) KDM4EMAPTTRPM8CYP2C8CYP2C9
SCHEMBL4155828 0.82 TRPM8 (0.52) TRPM8CYP2C8CYP2C9TSHRLHCGR
SCHEMBL3955065 0.76 CNR2 (0.40) KDM4EMAPT
SCHEMBL3951105 0.75 MAPT (0.41) KDM4EMAPT
SCHEMBL4049747 0.74 SHMT2 (0.47) KDM4EMAPTKCNH2
SCHEMBL3953865 0.72 CNR2 (0.39) KDM4EMAPT
SCHEMBL3949067 0.69 TRPM8 (0.59) TRPM8CYP2C8CYP2C9TSHRLHCGR
SCHEMBL13904933 0.66 CCR1 (0.46) TRPM8LHCGRKCNH2
SCHEMBL3952561 0.66 TRPM8 (0.62) TRPM8CYP2C8CYP2C9TSHRLHCGR

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 KDM4E 2542/4885MAPT 4415/4885P2RX7 594/4885

“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.