SCHEMBL651178

SCHEMBL651178

O=C(O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
TEAD1 P28347 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL429257 0.86 MTNR1A (0.77) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL3291899 0.86 MTNR1A (0.55) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL12667026 0.84 MTNR1A (0.51) MTNR1AMTNR1BTEAD1P2RX7HDAC1
SCHEMBL3287422 0.83 MTNR1A (0.53) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL3287060 0.83 MTNR1A (0.54) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL3288706 0.83 SIGMAR1 (0.57) MTNR1AMTNR1BGRM7SIGMAR1
SCHEMBL3284594 0.83 MTNR1A (0.52) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL3283908 0.82 SIGMAR1 (0.56) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3284241 0.81 MTNR1A (0.50) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL3282873 0.81 MTNR1A (0.50) MTNR1AMTNR1BTEAD1MEN1ALDH1A1

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-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 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-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 US disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 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 (5 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 MTNR1A 121/4885MTNR1B 44/4885TEAD1 3059/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885TEAD1 4345/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885

“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.