SCHEMBL2536331

SCHEMBL2536331

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)CC)c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
AR P10275 1/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL2537927 0.91 MAPT (0.47) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL2536543 0.90 AR (0.42) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL2534825 0.89 RAB9A (0.49) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL2529393 0.89 RAB9A (0.47) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL2534177 0.87 AR (0.41) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL2537177 0.87 MAPT (0.51) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL2532907 0.87 AR (0.44) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL2532760 0.86 RAB9A (0.49) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL2534412 0.86 MAPT (0.46) KMT2AALDH1A1MAPTGAAMAPK1
SCHEMBL2534921 0.86 MAPT (0.52) KMT2AALDH1A1LMNAMAPTPOLB

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 7 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
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP 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
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO 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 KMT2A 661/4885ALDH1A1 552/4885TSHR 1338/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 KMT2A 661/4885ALDH1A1 552/4885TSHR 1338/4885

“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.