SCHEMBL653090

SCHEMBL653090

O=C(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
TEAD1 P28347 1/20 0.42
BRD4 O60885 3/20 0.41
SIGMAR1 Q99720 3/20 0.40
SLC6A12 P48065 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.38
CHRM4 P08173 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3287060 0.89 MTNR1A (0.54) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL652073 0.85 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3286179 0.85 MTNR1A (0.55) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3284139 0.83 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL13359246 0.83 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3286018 0.83 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3284854 0.83 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3285777 0.82 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3286260 0.81 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3285357 0.80 MTNR1A (0.50) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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 12 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 claimed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US claimed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US claimed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
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-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-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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 (3 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 74/4885KMT2A 690/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885KMT2A 690/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885KMT2A 690/4885

“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.