SCHEMBL2532913

SCHEMBL2532913

CCOC(=O)CNCC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.36
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
CYP2C19 P33261 1/20 0.36
LGMN Q99538 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
KCNH2 Q12809 1/20 0.34
KIF11 P52732 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
IDH1 O75874 2/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL2579236 0.90 CYP2C19 (0.40) PLOD2PLOD3PLOD1CYP2C19MAPT
SCHEMBL2532337 0.87 SIRT2 (0.44) CYP2C19LGMNLMNAMAPTMEN1
SCHEMBL2530141 0.82 KMO (0.52) CYP2C19LMNAMAPTKIF11MEN1
SCHEMBL14331261 0.81 KMO (0.43) PLOD2PLOD3PLOD1CYP2C19MAPT
SCHEMBL12219922 0.81 POLB (0.37) PLOD2PLOD3PLOD1CYP2C19MAPT
SCHEMBL2535032 0.80 MAPT (0.38) PLOD2PLOD3PLOD1CYP2C19MAPT
SCHEMBL2534296 0.79 LMNA (0.41) LMNAMAPTMEN1KMT2ARXFP1
SCHEMBL2531602 0.79 SIRT2 (0.49) LGMNLMNAMAPTMEN1KMT2A
SCHEMBL2533764 0.79 MAPT (0.39) CYP2C19MAPTKIF11KMOALDH1A1
SCHEMBL2537182 0.78 AR (0.40) LMNAMAPTMEN1KMT2APOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 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 (2 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PLOD2 4862/4885PLOD3 4757/4885PLOD1 4866/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PLOD2 4862/4885PLOD3 4757/4885PLOD1 4866/4885

“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.