SCHEMBL2532899

SCHEMBL2532899

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)N3CCCCC3)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
RHOA P61586 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
EPHX2 P34913 2/20 0.40
RBP4 P02753 1/20 0.39
POLB P06746 1/20 0.39
KDM1A O60341 1/20 0.39
HTT P42858 2/20 0.39
ROCK2 O75116 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2531427 0.99 EPHX2 (0.40) HPGDRHOAKMT2AALDH1A1MEN1
SCHEMBL2527928 0.89 L3MBTL3 (0.44) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL2527915 0.88 L3MBTL3 (0.45) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL2533556 0.85 ALDH1A1 (0.41) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL2530168 0.84 ALDH1A1 (0.43) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL15509900 0.84 POLB (0.48) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL2538148 0.83 BRD4 (0.39) KMT2AALDH1A1MEN1ROCK2GAA
SCHEMBL2533058 0.83 MEN1 (0.40) KMT2AALDH1A1MEN1ROCK2GAA
SCHEMBL15509556 0.83 POLB (0.46) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL2532147 0.83 KMT2A (0.48) KMT2AALDH1A1MEN1POLBHTT

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 HPGD 1640/4885RHOA 2229/4885KMT2A 661/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 HPGD 1640/4885RHOA 2229/4885KMT2A 661/4885

“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.