SCHEMBL2531675

SCHEMBL2531675

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)Cc3ccccc3)c1)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.45
USP2 O75604 2/20 0.44
DRD2 P14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL2537927 0.92 MAPT (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2530890 0.92 KMT2A (0.43) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2534342 0.91 ALDH1A1 (0.57) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2534932 0.91 RAB9A (0.55) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2531679 0.87 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL15509970 0.86 GAA (0.45) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2568247 0.84 HTR7 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL2533620 0.84 HSD17B10 (0.44) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2532336 0.84 RAB9A (0.46) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2530664 0.83 GAA (0.47) RAB9ANPC1ALDH1A1HPGDMAPT

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 RAB9A 364/4885NPC1 429/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 RAB9A 364/4885NPC1 429/4885ALDH1A1 552/4885

“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.