SCHEMBL3288706

SCHEMBL3288706

COc1cc(CC(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.57
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
MCHR1 Q99705 3/20 0.44
GRM7 Q14831 1/20 0.44
TACR1 P25103 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CCR8 P51685 1/20 0.41

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
SCHEMBL3283249 0.87 MTNR1A (0.53) SIGMAR1MTNR1AMTNR1B
SCHEMBL3283908 0.86 SIGMAR1 (0.56) SIGMAR1MTNR1AMTNR1B
SCHEMBL651178 0.83 MTNR1A (0.60) SIGMAR1MTNR1AMTNR1BGRM7
SCHEMBL3291899 0.81 MTNR1A (0.55) MTNR1AMTNR1BL3MBTL1
SCHEMBL3284594 0.77 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL12667026 0.77 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL3284781 0.76 MTNR1A (0.52) SIGMAR1MTNR1AMTNR1BGRM7
SCHEMBL3284773 0.76 MTNR1A (0.52) SIGMAR1MTNR1AMTNR1BGRM7
SCHEMBL3284241 0.76 MTNR1A (0.50) MTNR1AMTNR1BL3MBTL1
SCHEMBL14113226 0.75 MTNR1A (0.59) SIGMAR1MTNR1AMTNR1BGRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US claimed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 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 (2 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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 SIGMAR1 104/4885MTNR1A 121/4885MTNR1B 44/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 SIGMAR1 73/4885MTNR1A 319/4885MTNR1B 208/4885

“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.