SCHEMBL648876

SCHEMBL648876

NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
AADAT Q8N5Z0 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
P2RX7 Q99572 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL10148387 0.85 MTNR1A (0.42) AADATMTNR1AMTNR1BSIRT1ALDH1A1
SCHEMBL653007 0.85 BRD4 (0.47) DPP4MTNR1AMTNR1BSIRT1HPGD
SCHEMBL31043514 0.84 MTNR1A (0.53) DPP4MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL430079 0.84 MTNR1A (0.53) DPP4MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL12629764 0.83 MTNR1A (0.43) DPP4MTNR1AMTNR1BALDH1A1ALDH2
SCHEMBL7246204 0.82 FNTA (0.46) SIRT1HDAC1HDAC8HDAC6
SCHEMBL651795 0.82 FNTA (0.46) SIRT1HDAC1HDAC8HDAC6
SCHEMBL10148424 0.82 MTNR1A (0.37) DPP4MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL652622 0.82 AADAT (0.44) DPP4AADATMTNR1AMTNR1BSIRT1
SCHEMBL649686 0.81 BRD4 (0.42) DPP4MTNR1AMTNR1BALDH1A1HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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
WO-2006078697-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 US 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 (5 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 DPP4 3581/4885AADAT 1587/4885MTNR1A 173/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 DPP4 3581/4885AADAT 1587/4885MTNR1A 173/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 DPP4 4155/4885AADAT 2898/4885MTNR1A 121/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 DPP4 4021/4885AADAT 3060/4885MTNR1A 319/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 DPP4 3581/4885AADAT 1587/4885MTNR1A 173/4885

“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.