SCHEMBL2537597

SCHEMBL2537597

COC(=O)C(C)(C)Nc1cccc(C2Nc3ccc(Cl)cc3CC2(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A3 Q01959 1/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
CDYL2 Q8N8U2 1/20 0.30
CDYL Q9Y232 1/20 0.30
DRD2 P14416 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
SCHEMBL2529692 0.90 ATM (0.34) MEN1KMT2APOLBATMHTT
SCHEMBL2537661 0.86 NOTCH1 (0.33) MEN1KMT2ACNR2HSD17B10MAPT
SCHEMBL2529339 0.86 KIF18A (0.35) POLBTP53
SCHEMBL2529386 0.84 AR (0.39) MEN1KMT2APOLBHSD17B10TP53
SCHEMBL2530147 0.79 NR4A1 (0.33) MEN1KMT2APOLBMAPT
SCHEMBL12289662 0.79 F10 (0.31)
SCHEMBL15510207 0.79 ACHE (0.37) EPHX2
SCHEMBL2535628 0.78 PRKAB2 (0.40) MEN1KMT2AATMHTTTP53
SCHEMBL2533430 0.77 LMNA (0.37) HTTTP53MAPT
SCHEMBL2531594 0.77 AURKA (0.33) MEN1KMT2APOLBMAPT

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 MEN1 353/4885KMT2A 661/4885CNR2 20/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MEN1 353/4885KMT2A 661/4885CNR2 20/4885

“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.