SCHEMBL11021415

SCHEMBL11021415

CC1(C)CC(c2cccc(N3CCN(c4ccccc4F)CC3)c2)Nc2c(C(N)=O)cc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PARP14 Q460N5 2/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL11026768 0.92 RPS6KB1 (0.35) MEN1KMT2AUSP2GAARPS6KB1
SCHEMBL11030011 0.92 MEN1 (0.40) MEN1KMT2AUSP2GAACYP1A2
SCHEMBL11024631 0.90 KMT2A (0.41) MEN1KMT2AUSP2GAACYP1A2
SCHEMBL11029142 0.89 PARP1 (0.35) MEN1KMT2AGAARPS6KB1AKT1
SCHEMBL11027159 0.88 MEN1 (0.37) MEN1KMT2AUSP2GAACYP1A2
SCHEMBL11026764 0.85 NPC1 (0.34) MEN1KMT2AUSP2GAARPS6KB1
SCHEMBL11940907 0.85 MEN1 (0.35) MEN1KMT2AUSP2GAACYP1A2
SCHEMBL11023712 0.85 AR (0.37) MEN1KMT2AUSP2GAASMN1; SMN2
SCHEMBL11026548 0.83 ALDH1A1 (0.39) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL11026405 0.82 SCN9A (0.35) MEN1KMT2AUSP2GAANPSR1

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 8 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
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 MEN1 487/4885KMT2A 513/4885USP2 4302/4885

“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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