SCHEMBL4904876

SCHEMBL4904876

[C]1c2ccccc2CCCC1C1CCCCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
IDO1 P14902 2/20 0.40
EPHX1 P07099 1/20 0.38
PRCP P42785 1/20 0.37
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5256851 0.93 PDPK1 (0.39) SIGMAR1IDO1
SCHEMBL1970744 0.91 IDO1 (0.41) SIGMAR1IDO1
SCHEMBL121704 0.83 PDPK1 (0.43) SIGMAR1IDO1
SCHEMBL815114 0.79 MEN1 (0.38)
SCHEMBL316316 0.75 SRD5A1 (0.41) SIGMAR1IDO1
SCHEMBL145977 0.75 IDO1 (0.57) SIGMAR1IDO1TSHRLMNA
SCHEMBL29357487 0.75 IDO1 (0.57) SIGMAR1IDO1TSHRLMNA
SCHEMBL4661810 0.74 SIGMAR1 (0.63) SIGMAR1IDO1EPHX1PRCP
SCHEMBL21924071 0.74 SIGMAR1 (0.63) SIGMAR1IDO1EPHX1PRCP
SCHEMBL30285859 0.74 SIGMAR1 (0.63) SIGMAR1IDO1EPHX1PRCP

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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH SIGMAR1 662/4885IDO1 1290/4885EPHX1 291/4885

“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.