SCHEMBL4931283

SCHEMBL4931283

O=C(O)c1c2c(nn1-c1ccc(Cl)cc1Cl)C1CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.45
MARS1 P56192 6/20 0.45
NOTUM Q6P988 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ACHE P22303 1/20 0.40
SMPD1 P17405 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4927334 0.88 MARS1 (0.43) RPA1LMNAOPRM1MARS1NOTUM
SCHEMBL4934284 0.84 KDM4E (0.46) OPRM1CNR1CNR2ALDH1A1
SCHEMBL1431791 0.79 CNR2 (0.47) RPA1LMNAMARS1NOTUMCNR1
SCHEMBL1432098 0.70 CNR1 (0.51) CNR1CNR2
SCHEMBL6319867 0.69 KEAP1 (0.58) RPA1LMNANOTUMCNR1CNR2
SCHEMBL1431689 0.69 CNR2 (0.53) CNR1CNR2
SCHEMBL1432143 0.69 CNR2 (0.53) CNR1CNR2
SCHEMBL1432072 0.69 CNR1 (0.47) CNR1CNR2
SCHEMBL1432762 0.68 KDM4E (0.53) CNR1CNR2
SCHEMBL1431685 0.68 CNR2 (0.69) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 RPA1 4785/4885LMNA 2752/4885OPRM1 16/4885

“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.