SCHEMBL11026764

SCHEMBL11026764

CC1(C)CC(c2cccc(N3CCN(c4ccccc4C(N)=O)CC3)c2)Nc2c([C]=O)cc(F)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ ADRA1D P25100 9/20 0.34
▸ ADRA1A P35348 9/20 0.34
▸ ADRA1B P35368 9/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR1A P08908 3/20 0.31
▸ F10 P00742 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ F7 P08709 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 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
SCHEMBL11021415 0.85 MEN1 (0.39) RPS6KB1AKT1MEN1USP2GAA
SCHEMBL11026768 0.85 RPS6KB1 (0.35) ADRA1DADRA1AADRA1BRPS6KB1AKT1
SCHEMBL11021411 0.84 MEN1 (0.37) MEN1USP2GAAKMT2AKDM4E
SCHEMBL11029096 0.83 CDC7 (0.35) NPC1JAK2MEN1GAAKMT2A
SCHEMBL11029142 0.81 PARP1 (0.35) RPS6KB1AKT1JAK2JAK1MEN1
SCHEMBL11029140 0.80 FAAH (0.33) JAK2JAK1MEN1GAAKMT2A
SCHEMBL11030011 0.79 MEN1 (0.40) MEN1USP2GAAKMT2AKDM4E
SCHEMBL11023712 0.79 AR (0.37) NPC1MEN1USP2GAAKMT2A
SCHEMBL11026338 0.78 MEN1 (0.38) MEN1USP2KMT2AHTR1AF10
SCHEMBL11024631 0.77 KMT2A (0.41) NPC1ADRA1DADRA1AADRA1BMEN1

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 NPC1 220/4885ADRA1D 75/4885ADRA1A 96/4885

“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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