SCHEMBL650181

SCHEMBL650181

NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
ALDH2 P05091 2/20 0.53
ALDH3A1 P30838 2/20 0.53
AADAT Q8N5Z0 6/20 0.44
XIAP P98170 1/20 0.43
ACHE P22303 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KYAT1 Q16773 1/20 0.43
KYAT3 Q6YP21 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
NPC1 O15118 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
SCHEMBL650180 1.00 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1AADATXIAP
SCHEMBL5134148 1.00 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1AADATXIAP
SCHEMBL30489385 0.85 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1XIAPACHE
SCHEMBL28995174 0.85 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1XIAPACHE
SCHEMBL4985358 0.84 AADAT (0.56) ALDH1A1AADATXIAPKYAT1KYAT3
SCHEMBL649727 0.77 ALDH1A1 (0.48) ALDH1A1ALDH2ALDH3A1XIAPACHE
SCHEMBL5132775 0.77 ALDH1A1 (0.48) ALDH1A1ALDH2ALDH3A1XIAPACHE
SCHEMBL649728 0.77 ALDH1A1 (0.48) ALDH1A1ALDH2ALDH3A1XIAPACHE
SCHEMBL4801630 0.77 AADAT (0.46) ALDH1A1AADATKYAT1KYAT3POLB
SCHEMBL15712170 0.76 HDAC1 (0.69) ALDH1A1ALDH2ALDH3A1HDAC1HDAC8

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 15 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-1644370-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP disclosed
US-7276608-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-02 US disclosed
US-7276608-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-02 US disclosed
US-7276608-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-02 US disclosed
EP-1644370-A2 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2005007111-A2 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO 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
US-20050009870-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 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 (4 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-20050009870-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 ALDH1A1 3577/4885ALDH2 3682/4885ALDH3A1 3948/4885
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885ALDH2 3682/4885ALDH3A1 3948/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 ALDH1A1 3577/4885ALDH2 3682/4885ALDH3A1 3948/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885ALDH2 3682/4885ALDH3A1 3948/4885

“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.