SCHEMBL11029258

SCHEMBL11029258

CN1CCN(c2cccc(C3CC(C)(C)c4cccc(C(=O)O)c4N3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLOD2 O00469 1/20 0.37
▸ PLOD3 O60568 1/20 0.37
▸ PLOD1 Q02809 1/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HDAC4 P56524 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ TMEM97 Q5BJF2 3/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL11026104 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11031637 0.89 SIRT6 (0.41) ALDH1A1KDM4EMEN1KMT2APLOD2
SCHEMBL11023395 0.89 CYP2C19 (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11029187 0.86 CHEK1 (0.36) PLOD2PLOD3PLOD1HTR2CADRA2C
SCHEMBL11026338 0.86 MEN1 (0.38) ALDH1A1MEN1MAPTKMT2AHDAC4
SCHEMBL11025237 0.81 F11 (0.44) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL11021499 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11025301 0.80 KDM4E (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11027131 0.80 CYP2C19 (0.43) ALDH1A1MEN1MAPTKMT2APLOD2
SCHEMBL11940914 0.80 NR1H2 (0.35) MEN1KMT2AHDAC4CYP2C19

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 785/4885KDM4E 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.

Send feedback