SCHEMBL653084

SCHEMBL653084

CC1(N(Cc2ccccc2)C(=O)O)Cc2cc(Br)ccc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
PTGES O14684 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
TMEM97 Q5BJF2 3/20 0.35
RIPK1 Q13546 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.35
PKM P14618 1/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSPO P30536 1/20 0.34

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
SCHEMBL650500 0.72 BRD4 (0.48) BRD4TP53RIPK1PKMALDH1A1
SCHEMBL7422703 0.69 BRD4 (0.54) BRD4PKMALDH1A1MEN1KMT2A
SCHEMBL651424 0.68 MAPT (0.45) BRD4TP53ALDH1A1MEN1KMT2A
SCHEMBL1785929 0.67 NPSR1 (0.45) NPSR1ALDH1A1MEN1KMT2A
Oxindole SCHEMBL19411707 0.65 PGR (0.50) TP53ALDH1A1MEN1KMT2A
SCHEMBL15426102 0.64 TP53 (0.67) TP53PKMBACE1ALDH1A1MEN1
SCHEMBL19410676 0.64 PGR (0.62) TP53ALDH1A1
SCHEMBL28029772 0.64 TP53 (0.41) TP53ALDH1A1MEN1KMT2A
SCHEMBL31430265 0.63 BRD4 (0.50) BRD4OTUD7B
SCHEMBL27640660 0.63 BRD4 (0.43) BRD4NPSR1MEN1KMT2A

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-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
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP disclosed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO 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 BRD4 87/4885NPSR1 148/4885TP53 4649/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 BRD4 87/4885NPSR1 148/4885TP53 4649/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 BRD4 87/4885NPSR1 148/4885TP53 4649/4885

“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.