SCHEMBL652544

SCHEMBL652544

O=S(=O)(NC1Cc2cc(-c3ccsc3)ccc2N(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
GRIA2 P42262 1/20 0.43
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NR1H2 P55055 2/20 0.39
OPRK1 P41145 1/20 0.38
KAT6A Q92794 1/20 0.38
HTT P42858 1/20 0.38
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
IDH2 P48735 1/20 0.36

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
SCHEMBL650121 0.89 FNTA (0.52) FNTAFNTBMTNR1AMTNR1BNR1H2
SCHEMBL1260557 0.89 FNTA (0.52) FNTAFNTBMTNR1AMTNR1BNR1H2
SCHEMBL650120 0.89 FNTA (0.52) FNTAFNTBMTNR1AMTNR1BNR1H2
SCHEMBL651456 0.87 FNTA (0.53) FNTAFNTBMTNR1AMTNR1BNR1H2
SCHEMBL653413 0.86 FNTA (0.48) FNTAFNTBDRD2DRD4MTNR1A
SCHEMBL651273 0.85 FNTA (0.49) FNTAFNTBDRD2MTNR1AMTNR1B
SCHEMBL651315 0.85 FNTA (0.49) FNTAFNTBDRD2MTNR1AMTNR1B
SCHEMBL651274 0.85 FNTA (0.49) FNTAFNTBDRD2MTNR1AMTNR1B
SCHEMBL653030 0.84 FNTA (0.46) FNTAFNTBMTNR1AMTNR1BOPRK1
SCHEMBL651316 0.84 FNTA (0.48) FNTAFNTBDRD2DRD4MTNR1A

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-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-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-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 FNTA 1368/4885FNTB 2071/4885GRIA2 130/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885GRIA2 130/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885GRIA2 130/4885

“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.