SCHEMBL11026548

SCHEMBL11026548

COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCN(c4ccccc4C)CC3)c1)CC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADRA1D P25100 5/20 0.38
▸ ADRA1A P35348 5/20 0.38
▸ ADRA1B P35368 5/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ AR P10275 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 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
SCHEMBL11024631 0.93 KMT2A (0.41) ALDH1A1KDM4ENPSR1ADRA1DADRA1A
SCHEMBL11023712 0.91 AR (0.37) ALDH1A1KDM4ENPSR1NPC1MAPT
SCHEMBL11026768 0.90 RPS6KB1 (0.35) ALDH1A1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11024597 0.89 MAPT (0.36) ALDH1A1KDM4ENPSR1ADRA1DADRA1A
SCHEMBL11029562 0.89 FAAH (0.35) ALDH1A1KDM4EADRA1DADRA1AADRA1B
SCHEMBL11026405 0.88 SCN9A (0.35) KDM4ENPSR1MAPTLMNAHTT
SCHEMBL11940905 0.86 SCN9A (0.38) ALDH1A1KDM4ENPSR1NPC1MAPT
SCHEMBL11030011 0.83 MEN1 (0.40) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL11021415 0.83 MEN1 (0.39) ALDH1A1KDM4ENPSR1MAPTTP53
SCHEMBL11027159 0.81 MEN1 (0.37) ALDH1A1KDM4ENPSR1MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — 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 (1 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A ALDH1A1 785/4885KDM4E 1324/4885NPSR1 766/4885

“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.

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