SCHEMBL45257

SCHEMBL45257

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2ccc(C(=O)NCC(O)CO)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 10/20 0.44
CYP2C19 P33261 1/20 0.37
NTRK1 P04629 2/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
FLT3 P36888 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PLOD2 O00469 1/20 0.35
PLOD3 O60568 1/20 0.35
PLOD1 Q02809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TLR2 O60603 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPT P10636 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
SCHEMBL45394 0.89 PRKD1 (0.40) CYP2C19NTRK1NTRK3NTRK2FLT3
SCHEMBL45003 0.88 F10 (0.39) CYP2C19NTRK1NTRK3NTRK2PLOD2
SCHEMBL45313 0.87 PRKD1 (0.40) CYP2C19NTRK1NTRK3NTRK2FLT3
SCHEMBL11026483 0.86 F10 (0.45) CYP2C19NTRK1NTRK3NTRK2MEN1
SCHEMBL45312 0.85 F10 (0.47) CYP2C19PLOD2PLOD3PLOD1ALDH1A1
SCHEMBL45126 0.84 F10 (0.40) CYP2C19NTRK1NTRK3NTRK2PLOD2
SCHEMBL41549 0.83 KMO (0.52) CYP2C19MEN1KMT2APLOD2PLOD3
SCHEMBL45781 0.83 F10 (0.45) CYP2C19MEN1KMT2APLOD2PLOD3
SCHEMBL11940879 0.83 CYP2C19 (0.38) CYP2C19NTRK1NTRK3NTRK2MEN1
SCHEMBL11025709 0.82 F7 (0.44) CYP2C19MEN1KMT2APLOD2PLOD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRMT5 641/4885CYP2C19 3308/4885NTRK1 4082/4885

“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.