SCHEMBL11024235

SCHEMBL11024235

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ PLOD2 O00469 2/20 0.38
▸ PLOD3 O60568 2/20 0.38
▸ PLOD1 Q02809 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ CFTR P13569 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SETD2 Q9BYW2 1/20 0.36
▸ KIF18A Q8NI77 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.35

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
SCHEMBL11024176 0.87 KMO (0.52) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11025215 0.86 MRGPRX4 (0.43) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11940880 0.85 CYP2C19 (0.40) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11940879 0.84 CYP2C19 (0.38) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11026459 0.84 PRKAG1 (0.41) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11026663 0.84 CYP2C19 (0.40) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11026483 0.82 F10 (0.45) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11025011 0.82 CFTR (0.42) CYP2C19CYP3A4PLOD2PLOD3PLOD1
SCHEMBL11027687 0.82 PRKAG1 (0.38) EPHX2NR1H4MAPTRARARARG
SCHEMBL11027051 0.82 CHEK1 (0.40) CYP2C19CYP3A4HDAC3HDAC1HDAC2

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 13 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
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
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
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — 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 CYP2C19 1776/4885CYP3A4 715/4885PLOD2 4879/4885

“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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