SCHEMBL11026768

SCHEMBL11026768

Cc1ccccc1N1CCN(c2cccc(C3CC(C)(C)c4cc(F)cc(C(N)=O)c4N3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AR P10275 2/20 0.34
▸ C1S P09871 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ AVPR1A P37288 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MMP2 P08253 1/20 0.32

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
SCHEMBL11021415 0.92 MEN1 (0.39) RPS6KB1AKT1PARP1MEN1KMT2A
SCHEMBL11023712 0.92 AR (0.37) ARC1SAVPR1AMEN1KMT2A
SCHEMBL11026548 0.90 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11029142 0.89 PARP1 (0.35) RPS6KB1AKT1PARP1MEN1KMT2A
SCHEMBL11026405 0.87 SCN9A (0.35) ARAVPR1AMEN1KMT2AUSP2
SCHEMBL11940905 0.85 SCN9A (0.38) ARTSHRMMP2MMP9MMP13
SCHEMBL11030011 0.85 MEN1 (0.40) MEN1KMT2AUSP2GAATSHR
SCHEMBL11026764 0.85 NPC1 (0.34) RPS6KB1ADRA1DADRA1AADRA1BAKT1
SCHEMBL11024631 0.83 KMT2A (0.41) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL11029114 0.83 MAPT (0.36) ARPARP1MEN1KMT2AGAA

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 6 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
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 RPS6KB1 821/4885ADRB2 862/4885ADRB1 377/4885

“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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