SCHEMBL2533744

SCHEMBL2533744

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)NS(=O)(=O)C3CC3)c1)N2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 11/20 0.36
SCN5A Q14524 7/20 0.36
SCN2B O60939 2/20 0.36
SCN1B Q07699 2/20 0.36
SCN1A P35498 1/20 0.36
IP6K1 Q92551 1/20 0.35
KDM4E B2RXH2 1/20 0.34
AR P10275 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2527942 0.91 SCN9A (0.37) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL2532299 0.90 SCN3A (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2SCN9A
SCHEMBL15510145 0.86 KDM1A (0.34) ALDH1A1KMT2AMEN1SCN9ASCN5A
SCHEMBL2534242 0.86 MCL1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2IP6K1
SCHEMBL2533058 0.86 MEN1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2534114 0.85 SMYD3 (0.42) KMT2AMEN1KDM4EHDAC8
SCHEMBL2538148 0.84 BRD4 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2533759 0.84 SCN9A (0.35) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL2533556 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2532311 0.83 KDM1A (0.43) KMT2AMEN1SMN1; SMN2KDM4EHDAC8

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 552/4885KMT2A 661/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ALDH1A1 552/4885KMT2A 661/4885MEN1 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.