SCHEMBL11024581

SCHEMBL11024581

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
CYP2C19 P33261 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
PSMD14 O00487 1/20 0.41
CYP3A4 P08684 2/20 0.40
SETD2 Q9BYW2 2/20 0.38
PLOD2 O00469 2/20 0.37
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
CYP2C9 P11712 1/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KIF11 P52732 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
SCHEMBL11025375 0.92 CYP2C19 (0.41) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11029270 0.90 MRGPRX4 (0.40) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11940910 0.86 CYP2C19 (0.39) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL41549 0.85 KMO (0.52) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11023395 0.84 CYP2C19 (0.46) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11024176 0.83 KMO (0.52) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11026364 0.83 CYP2C19 (0.43) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11028406 0.83 CYP2C19 (0.43) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11027131 0.79 CYP2C19 (0.43) KMOCYP2C19MEN1KMT2AALDH1A1
SCHEMBL11025709 0.79 F7 (0.44) KMOCYP2C19MEN1KMT2AALDH1A1

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 1776/4885MEN1 487/4885

“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.