SCHEMBL2535577

SCHEMBL2535577

CCN1CCCC1CNC(=O)c1cccc(C2Nc3ccc(C(=O)OC)cc3CC2(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
RAD52 P43351 2/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2535626 0.92 HSD17B10 (0.46) DRD2KDM4EALDH1A1GLAGAA
SCHEMBL2535580 0.83 ROCK2 (0.36) DRD2ALDH1A1HSD17B10KMT2AROCK2
SCHEMBL2527932 0.81 HPGD (0.44) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL2538148 0.80 BRD4 (0.39) KDM4EALDH1A1GAAKMT2AROCK2
SCHEMBL2533058 0.79 MEN1 (0.40) KDM4EALDH1A1GAAKMT2AROCK2
SCHEMBL2532311 0.79 KDM1A (0.43) KDM4EGAAHSD17B10KMT2AROCK2
SCHEMBL2534114 0.79 SMYD3 (0.42) KDM4EKMT2AROCK2
SCHEMBL2532907 0.79 AR (0.44) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL2531587 0.79 ABL1 (0.40) ALDH1A1KMT2A
SCHEMBL2531427 0.78 EPHX2 (0.40) ALDH1A1GAAKMT2AROCK2POLB

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 DRD2 126/4885KDM4E 796/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 DRD2 126/4885KDM4E 796/4885ALDH1A1 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.