SCHEMBL5022744

SCHEMBL5022744

COc1cccc(CNc2ccc3c(N4CCCC4)cc(C)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NCF1 P14598 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
NOS1 P29475 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL5024595 0.89 RAB9A (0.54) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL5022553 0.82 NCF1 (0.51) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL5024554 0.82 NCF1 (0.51) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL5037494 0.82 NCF1 (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5022709 0.82 TERT (0.50) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL5028716 0.81 NCF1 (0.50) MAPTALDH1A1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL5037498 0.81 NCF1 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5033327 0.81 NCF1 (0.51) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5024510 0.81 KDM4E (0.56) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL5025305 0.81 NCF1 (0.51) MAPTALDH1A1KDM4EGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R MAPT 3523/4885ALDH1A1 1477/4885KDM4E 2067/4885

“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.