SCHEMBL2531679

SCHEMBL2531679

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
RAB9A P51151 4/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BTK Q06187 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
AR P10275 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2533620 0.90 HSD17B10 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2527836 0.90 F10 (0.40) ALDH1A1SMN1; SMN2RAB9ABRD4BTK
SCHEMBL2531675 0.87 RAB9A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2533556 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2534342 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2535027 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2530168 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2533669 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2533058 0.84 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2570517 0.84 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 ALDH1A1 552/4885SMN1; SMN2 1856/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ALDH1A1 552/4885SMN1; SMN2 1856/4885MEN1 353/4885

“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.