SCHEMBL4927334

SCHEMBL4927334

O=C(c1ccccc1)c1c2c(nn1-c1ccc(Cl)cc1Cl)C1CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 0.43
OPRM1 P35372 1/20 0.41
RPA1 P27694 1/20 0.41
SMPD1 P17405 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CNR1 P21554 5/20 0.40
CNR2 P34972 4/20 0.40
LMNA P02545 1/20 0.39
NOTUM Q6P988 1/20 0.38
GRM5 P41594 2/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4931283 0.88 RPA1 (0.47) MARS1OPRM1RPA1SMPD1ALDH1A1
SCHEMBL4934284 0.81 KDM4E (0.46) OPRM1ALDH1A1CNR1CNR2
SCHEMBL1431791 0.72 CNR2 (0.47) MARS1RPA1ALDH1A1CNR1CNR2
SCHEMBL1432072 0.71 CNR1 (0.47) CNR1CNR2
SCHEMBL1432098 0.70 CNR1 (0.51) CNR1CNR2
SCHEMBL1432143 0.69 CNR2 (0.53) CNR1CNR2
SCHEMBL1431689 0.69 CNR2 (0.53) CNR1CNR2
SCHEMBL1432062 0.68 CNR1 (0.53) CNR1CNR2
SCHEMBL1431729 0.68 CNR2 (0.46) CNR1CNR2
SCHEMBL4622951 0.67 CNR1 (0.54) 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 MARS1 4429/4885OPRM1 16/4885RPA1 4785/4885

“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.