SCHEMBL11029562

SCHEMBL11029562

COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCCC3)c1)CC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ LMNA P02545 2/20 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
SCHEMBL11024597 0.91 MAPT (0.36) MAPTALDH1A1KDM4EADRA1DADRA1A
SCHEMBL11024631 0.90 KMT2A (0.41) MAPTALDH1A1TSHRKDM4EADRA1D
SCHEMBL11025301 0.90 KDM4E (0.39) FAAHMAPTALDH1A1F10F11
SCHEMBL11026548 0.89 ALDH1A1 (0.39) MAPTALDH1A1KDM4EADRA1DADRA1A
SCHEMBL11029142 0.89 PARP1 (0.35) FAAHALDH1A1F10F11F7
SCHEMBL11027013 0.86 SCN9A (0.35) FAAHRXFP1MAPTTSHRF11
SCHEMBL11940912 0.84 SCN9A (0.38) FAAHMAPTTSHRHDAC4
SCHEMBL11025003 0.84 TSHR (0.39) MAPTALDH1A1TSHRF10F11
SCHEMBL11028406 0.82 CYP2C19 (0.43) FAAHMAPTALDH1A1KDM4EMEN1
SCHEMBL11031637 0.81 SIRT6 (0.41) FAAHALDH1A1KDM4EMEN1KMT2A

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 FAAH 2348/4885RXFP1 43/4885MAPT 3428/4885

“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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