SCHEMBL652500

SCHEMBL652500

O=S(=O)(NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.48
APOB P04114 2/20 0.44
MTTP P55157 2/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
HTT P42858 1/20 0.40
MCOLN2 Q8IZK6 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MCOLN1 Q9GZU1 1/20 0.40
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL651963 0.92 FNTA (0.50) TEAD1APOBMTTPFNTAFNTB
SCHEMBL649408 0.92 FNTA (0.50) TEAD1APOBMTTPFNTAFNTB
SCHEMBL649409 0.92 FNTA (0.50) TEAD1APOBMTTPFNTAFNTB
SCHEMBL431819 0.82 TEAD1 (0.61) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL651258 0.79 FNTA (0.55) FNTAFNTBHTR1AHTR7MTNR1A
SCHEMBL651328 0.79 HTT (0.44) TEAD1FNTAFNTBHTR1AHTR7
SCHEMBL650527 0.78 MTNR1A (0.51) TEAD1FNTAFNTBHTR1AHTR7
SCHEMBL650121 0.78 FNTA (0.52) FNTAFNTBHTR1AHTR7MTNR1A
SCHEMBL650120 0.78 FNTA (0.52) FNTAFNTBHTR1AHTR7MTNR1A
SCHEMBL648862 0.78 FNTA (0.52) FNTAFNTBHTR1AHTR7MTNR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US claimed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-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 1745/4885APOB 2703/4885MTTP 816/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 TEAD1 1745/4885APOB 2703/4885MTTP 816/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 TEAD1 1745/4885APOB 2703/4885MTTP 816/4885

“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.