SCHEMBL2534296

SCHEMBL2534296

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CCN(C)CC3)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
AR P10275 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.38
ATM Q13315 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2537182 0.92 AR (0.40) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2532888 0.91 MAPT (0.46) LMNAMAPTALDH1A1MAPK1TSHR
SCHEMBL2532337 0.91 SIRT2 (0.44) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2527918 0.91 TP53 (0.43) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2531393 0.89 MAPT (0.43) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2534199 0.87 AR (0.40) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2532188 0.87 TTR (0.41) ALDH1A1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL2535682 0.85 AR (0.43) LMNAMAPTALDH1A1ARSMN1; SMN2
SCHEMBL2532907 0.84 AR (0.44) LMNAMAPTALDH1A1MAPK1AR
SCHEMBL2534412 0.84 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2MEN1

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 LMNA 3533/4885MAPT 3094/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 LMNA 3533/4885MAPT 3094/4885ALDH1A1 552/4885

“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.