SCHEMBL11025215

SCHEMBL11025215

COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ALOX15 P16050 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ PLOD2 O00469 2/20 0.40
▸ PLOD3 O60568 2/20 0.40
▸ PLOD1 Q02809 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ F11 P03951 1/20 0.40
▸ F7 P08709 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL45781 0.93 F10 (0.45) MRGPRX4ALOX15MAPTPKMCYP2C19
SCHEMBL11024176 0.90 KMO (0.52) MAPTCYP2C19PLOD2PLOD3PLOD1
SCHEMBL11024235 0.86 CYP2C19 (0.39) MAPTCYP2C19PLOD2PLOD3PLOD1
SCHEMBL11025379 0.84 F10 (0.48) ALOX15MAPTF10F11F7
SCHEMBL11029270 0.84 MRGPRX4 (0.40) MRGPRX4ALOX15MAPTPKMCYP2C19
SCHEMBL11025709 0.83 F7 (0.44) MAPTCYP2C19PLOD2PLOD3PLOD1
SCHEMBL11027487 0.83 PRKAG1 (0.43) MRGPRX4ALOX15MAPTPKMCYP2C19
SCHEMBL11025480 0.83 CYP2C19 (0.42) MRGPRX4ALOX15MAPTPKMCYP2C19
SCHEMBL11029499 0.83 F10 (0.45) MAPTPLOD2PLOD3PLOD1F10
SCHEMBL41549 0.82 KMO (0.52) MAPTCYP2C19PLOD2PLOD3PLOD1

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 disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 — — EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 — — WO 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 MRGPRX4 23/4885ALOX15 4207/4885MAPT 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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