SCHEMBL11024597

SCHEMBL11024597

COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCN(c4ccc(C)cc4)CC3)c1)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ ADRA1D P25100 3/20 0.34
▸ ADRA1A P35348 3/20 0.34
▸ ADRA1B P35368 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL11029562 0.91 FAAH (0.35) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL11027406 0.91 TP53 (0.36) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11026548 0.89 ALDH1A1 (0.39) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL11024631 0.88 KMT2A (0.41) MAPTKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL11029154 0.87 SCN2B (0.35) MAPTKDM4ELMNASMN1; SMN2TP53
SCHEMBL12467554 0.85 CYP2D6 (0.32) ALDH1A1TP53KMT2A
SCHEMBL11025301 0.81 KDM4E (0.39) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11025003 0.81 TSHR (0.39) MAPTALDH1A1LMNANPSR1KMT2A
SCHEMBL11028406 0.81 CYP2C19 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11029142 0.81 PARP1 (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1

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 2 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
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 MAPT 3428/4885KDM4E 1324/4885ALDH1A1 785/4885

“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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