SCHEMBL11029140

SCHEMBL11029140

CC1(C(N)=O)CC(c2cccc(N3CCCC3)c2)Nc2c([C]=O)cc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ADAMTS5 Q9UNA0 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
SCHEMBL11021411 0.90 MEN1 (0.37) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL11030189 0.90 HTR1A (0.34) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL11026336 0.83 CYP2C19 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL11028092 0.83 GBA1 (0.30) —
SCHEMBL11025411 0.82 CYP2C19 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL11027130 0.81 CYP2C19 (0.41) FAAHMEN1ALDH1A1KMT2A
SCHEMBL11026764 0.80 NPC1 (0.34) KDM4EMEN1GAAKMT2AJAK2
SCHEMBL11026011 0.79 F11 (0.38) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL11029142 0.78 PARP1 (0.35) FAAHKDM4EMEN1ALDH1A1GAA
SCHEMBL11029096 0.75 CDC7 (0.35) KDM4EMEN1ALDH1A1GAAKMT2A

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 FAAH 2348/4885KDM4E 1324/4885MEN1 487/4885

“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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