SCHEMBL11024176

SCHEMBL11024176

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PSMD14 O00487 1/20 0.41
MAPT P10636 1/20 0.41
PLOD2 O00469 2/20 0.40
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
RARB P10826 1/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 5/20 0.38
F11 P03951 5/20 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
SCHEMBL41549 0.92 KMO (0.52) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11025215 0.90 MRGPRX4 (0.43) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11024235 0.87 CYP2C19 (0.39) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11025709 0.86 F7 (0.44) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11025706 0.83 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL11024581 0.83 KMO (0.47) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL45198 0.83 PRKAG1 (0.47) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11026479 0.82 CYP2C19 (0.41) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL45781 0.82 F10 (0.45) KMOCYP2C19CYP3A4MEN1KMT2A
SCHEMBL11026483 0.82 F10 (0.45) KMOCYP2C19CYP3A4MEN1KMT2A

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 KMO 3477/4885CYP2C19 1776/4885CYP3A4 715/4885

“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.