SCHEMBL3085850

SCHEMBL3085850

COc1ccc(-n2nc3c(c2-c2ccc(C)cc2)CCCC3C(=O)NC(C)C23CCC4CC(CC4C2)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CCKAR P32238 7/20 0.34
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
F10 P00742 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL14435695 0.88 CCKAR (0.33) ALDH1A1CCKARCNR1CNR2F10
SCHEMBL13180103 0.85 CCKAR (0.36) ALDH1A1CCKARCNR1CNR2
SCHEMBL4928211 0.76 CNR1 (0.41) CCKARMAPTCNR1CNR2
SCHEMBL3086840 0.75 CNR1 (0.38) ALDH1A1CCKARMAPTCNR1CNR2
SCHEMBL13145271 0.75 CNR1 (0.38) ALDH1A1CCKARMAPTCNR1CNR2
SCHEMBL3094082 0.74 CNR2 (0.43) CNR1CNR2F10
SCHEMBL3088156 0.74 CNR1 (0.37) ALDH1A1CCKARMAPTCNR1CNR2
SCHEMBL3085780 0.74 CNR1 (0.37) ALDH1A1CCKARMAPTCNR1CNR2
SCHEMBL3088729 0.72 FAAH (0.37) ALDH1A1MAPTCNR1CNR2F10
SCHEMBL3090627 0.72 FAAH (0.37) ALDH1A1MAPTCNR1CNR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US claimed
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US disclosed
US-20080058313-A1 TETRAHYDRO-2H-INDAZOLE PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 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-20080058313-A1 TETRAHYDRO-2H-INDAZOLE PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR35 ALDH1A1 1794/4885CCKAR 64/4885MAPT 1731/4885

“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.