SCHEMBL3284773

SCHEMBL3284773

N#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1ccccc1)CN2Cc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
SIGMAR1 Q99720 6/20 0.48
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
EPHX2 P34913 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
TEAD1 P28347 1/20 0.43
GRM7 Q14831 1/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL3284781 1.00 MTNR1A (0.52) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL14113226 0.93 MTNR1A (0.59) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL3284426 0.93 MTNR1A (0.59) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL14113230 0.89 MTNR1A (0.52) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL3284195 0.89 CACNA1G (0.47) MTNR1AMTNR1BFNTAFNTBSIRT2
SCHEMBL3284200 0.89 CACNA1G (0.47) MTNR1AMTNR1BFNTAFNTBSIRT2
SCHEMBL3284574 0.87 EPHX2 (0.45) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL3285440 0.87 EPHX2 (0.45) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL3284571 0.87 EPHX2 (0.45) MTNR1AMTNR1BSIGMAR1FNTAFNTB
SCHEMBL3286282 0.86 EPHX2 (0.47) MTNR1AMTNR1BFNTAFNTBEPHX2

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 MTNR1A 121/4885MTNR1B 44/4885SIGMAR1 104/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885SIGMAR1 73/4885

“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.