SCHEMBL653155

SCHEMBL653155

O=C(c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2Cc1ccccc1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
RAB9A P51151 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HSD11B1 P28845 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL653439 0.99 HPGD (0.48) PKMRAB9AFNTAFNTBHPGD
SCHEMBL651476 0.92 FNTA (0.45) PKMFNTAFNTBHPGDALDH1A1
SCHEMBL649320 0.88 FNTA (0.51) PKMFNTAFNTBALDH1A1KDM4E
SCHEMBL650942 0.87 FNTA (0.49) PKMFNTAFNTBALDH1A1HDAC8
SCHEMBL651258 0.81 FNTA (0.55) PKMFNTAFNTBALDH1A1KDM4E
SCHEMBL651725 0.81 FAAH (0.47) PKMRAB9AFNTAFNTBKDM4E
SCHEMBL650120 0.80 FNTA (0.52) FNTAFNTBALDH1A1KDM4EHDAC8
SCHEMBL648862 0.80 FNTA (0.52) PKMFNTAFNTBALDH1A1KDM4E
SCHEMBL650121 0.80 FNTA (0.52) FNTAFNTBALDH1A1KDM4EHDAC8
SCHEMBL649631 0.80 FNTA (0.52) PKMFNTAFNTBALDH1A1KDM4E

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 PKM 2831/4885RAB9A 1371/4885FNTA 1368/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 PKM 2831/4885RAB9A 1371/4885FNTA 1368/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 PKM 2831/4885RAB9A 1371/4885FNTA 1368/4885

“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.