SCHEMBL11026104

SCHEMBL11026104

CC1(C)CC(c2cccc(N3CCN(c4ccccc4)CC3)c2)Nc2c(C(=O)O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ F10 P00742 4/20 0.38
▸ F11 P03951 4/20 0.38
▸ F7 P08709 4/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ USP2 O75604 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ NR1H2 P55055 1/20 0.35

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
SCHEMBL11029258 0.94 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11023395 0.93 CYP2C19 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11026338 0.92 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTF10
SCHEMBL11940914 0.85 NR1H2 (0.35) MEN1KMT2ACYP2C19HDAC4USP2
SCHEMBL11027131 0.84 CYP2C19 (0.43) ALDH1A1MEN1KMT2AMAPTCYP2C19
SCHEMBL11031637 0.83 SIRT6 (0.41) ALDH1A1MEN1KMT2AKDM4EHDAC4
SCHEMBL15751896 0.83 CYP2C19 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11027406 0.83 TP53 (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11025480 0.82 CYP2C19 (0.42) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11025301 0.82 KDM4E (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E

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 785/4885MEN1 487/4885KMT2A 513/4885

“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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