SCHEMBL2530622

SCHEMBL2530622

CC1(C)Cc2cc(Cl)cc(C(=O)O)c2NC1c1cccc(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.35
F11 P03951 7/20 0.35
F7 P08709 7/20 0.35
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.32
SERPINE1 P05121 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
DHODH Q02127 1/20 0.31
MCL1 Q07820 2/20 0.31
CACNA1B Q00975 1/20 0.31
USP2 O75604 1/20 0.30
POLB P06746 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
SCHEMBL2531694 0.89 SLC6A3 (0.36) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL2531526 0.84 ALDH1A1 (0.39) F10MEN1MAPTKMT2AALDH1A1
SCHEMBL2531361 0.83 ALDH1A1 (0.39) SERPINE1MEN1MAPTKMT2AALDH1A1
SCHEMBL14331245 0.83 AURKA (0.38)
SCHEMBL2534968 0.83 CYP2C19 (0.43) CYP3A4MEN1MAPTKMT2AALDH1A1
SCHEMBL2532199 0.83 ALDH1A1 (0.42) MEN1MAPTKMT2AALDH1A1USP2
SCHEMBL2533872 0.81 SERPINE1 (0.31) SERPINE1AKR1C3AKR1C2
SCHEMBL2532140 0.81 PNPLA2 (0.36) F10F11F7KDM4EALDH1A1
SCHEMBL2529278 0.79
SCHEMBL2566040 0.77 JAK2 (0.41) CA12CA1CA9

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 F10 2979/4885F11 3364/4885F7 2500/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 F10 2979/4885F11 3364/4885F7 2500/4885

“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.