SCHEMBL651309

SCHEMBL651309

O=C(NC1Cc2cc(C(F)(F)F)ccc2N(Cc2ccccc2)C1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.55
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
RORC P51449 4/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TACR1 P25103 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
MGLL Q99685 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
MEN1 O00255 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
SCHEMBL3288896 0.83 MTNR1A (0.50) TEAD1MTNR1AMTNR1BRORCCA1
SCHEMBL3286004 0.83 MTNR1A (0.50) TEAD1MTNR1AMTNR1BRORCCA1
SCHEMBL3286000 0.83 MTNR1A (0.50) TEAD1MTNR1AMTNR1BRORCCA1
SCHEMBL431819 0.80 TEAD1 (0.61) TEAD1MTNR1AMTNR1BACHEALDH1A1
SCHEMBL651279 0.78 S1PR5 (0.50) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL651963 0.77 FNTA (0.50) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL649408 0.77 FNTA (0.50) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL649409 0.77 FNTA (0.50) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL654145 0.77 ALDH1A1 (0.45) TEAD1MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL3291899 0.75 MTNR1A (0.55) TEAD1MTNR1AMTNR1BRORCALDH1A1

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 10 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-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-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 TEAD1 1745/4885MTNR1A 173/4885MTNR1B 74/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 TEAD1 1745/4885MTNR1A 173/4885MTNR1B 74/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 TEAD1 1745/4885MTNR1A 173/4885MTNR1B 74/4885

“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.