SCHEMBL2534306

SCHEMBL2534306

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)N(C(=O)OC(C)(C)C)C3CNC3)c1)N2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
KDM4D Q6B0I6 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL2535730 0.92 HDAC8 (0.30) HDAC8
SCHEMBL2582189 0.86 CHRNB2 (0.40) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL2533556 0.79 ALDH1A1 (0.41) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL2532907 0.78 AR (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2530168 0.78 ALDH1A1 (0.43) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL2533076 0.78 MEN1 (0.37) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL2531758 0.77 USP30 (0.46) HDAC8
SCHEMBL2533058 0.77 MEN1 (0.40) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL2534114 0.77 SMYD3 (0.42) MEN1KMT2AKDM4EHDAC8
SCHEMBL2535027 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1

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 CHRNB2 3101/4885CHRNA4 2081/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 CHRNB2 3101/4885CHRNA4 2081/4885MEN1 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.