SCHEMBL2532327

SCHEMBL2532327

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NS(=O)(=O)N(C)C)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
AR P10275 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
NR3C1 P04150 1/20 0.36
HPGD P15428 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL2536680 0.88 HTT (0.45) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2536543 0.87 AR (0.42) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2534388 0.85 AR (0.38) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2536331 0.84 KMT2A (0.44) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2534177 0.84 AR (0.41) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2529393 0.84 RAB9A (0.47) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2532907 0.84 AR (0.44) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL2534825 0.83 RAB9A (0.49) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL15509712 0.82 HTT (0.41) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2529423 0.82 AR (0.41) HTTLMNASMN1; SMN2MEN1KMT2A

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 HTT 3543/4885LMNA 3533/4885SMN1; SMN2 1856/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 HTT 3543/4885LMNA 3533/4885SMN1; SMN2 1856/4885

“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.