SCHEMBL3285576

SCHEMBL3285576

O=C(CCc1ccc2c(c1)OCO2)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
SIGMAR1 Q99720 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MCHR1 Q99705 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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 0.82 MTNR1A (0.53) MTNR1AMTNR1BSIGMAR1SIRT2SIRT1
SCHEMBL651178 0.79 MTNR1A (0.60) MTNR1AMTNR1BSIGMAR1ALDH1A1MEN1
SCHEMBL1261450 0.79 FNTA (0.47) SIRT2SIRT1ALDH1A1MCHR1HPGD
SCHEMBL3283908 0.75 SIGMAR1 (0.56) MTNR1AMTNR1BSIGMAR1NPC1RAB9A
SCHEMBL3286179 0.75 MTNR1A (0.55) MTNR1AMTNR1BSIGMAR1RAB9AALDH1A1
SCHEMBL3288706 0.74 SIGMAR1 (0.57) MTNR1AMTNR1BSIGMAR1MCHR1
SCHEMBL651588 0.74 FNTA (0.47) MTNR1AMTNR1BSIRT2SIRT1ALDH1A1
SCHEMBL3291899 0.73 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL3286260 0.73 MTNR1A (0.51) MTNR1AMTNR1BSIGMAR1ALDH1A1MCHR1
SCHEMBL3287422 0.73 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1MEN1KMT2A

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 8 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-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 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.