SCHEMBL11025375

SCHEMBL11025375

Cc1cc(C(N)=O)cc2c1NC(c1cccc(N3CCOCC3)c1)CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
KMO O15229 1/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PSMD14 O00487 1/20 0.39
PLOD2 O00469 2/20 0.36
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
CYP2C9 P11712 1/20 0.36
SETD2 Q9BYW2 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
LRRK2 Q5S007 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
PARP1 P09874 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL11024581 0.92 KMO (0.47) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11029270 0.89 MRGPRX4 (0.40) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11025709 0.85 F7 (0.44) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11940910 0.85 CYP2C19 (0.39) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11027131 0.84 CYP2C19 (0.43) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11025415 0.83 CYP2C19 (0.41) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11025372 0.81 CYP2C19 (0.40) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11026479 0.80 CYP2C19 (0.41) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11023395 0.79 CYP2C19 (0.46) CYP2C19KMOCYP3A4MEN1MAPT
SCHEMBL11024176 0.79 KMO (0.52) CYP2C19KMOCYP3A4MEN1MAPT

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 8 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
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 CYP2C19 1776/4885KMO 3477/4885CYP3A4 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.