SCHEMBL5028638

SCHEMBL5028638

Cc1cc(N2CCCC2)c2ccc(N3CCCCCC3)cc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.68
TERT O14746 3/20 0.58
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
NPY5R Q15761 1/20 0.47
PRKDC P78527 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NR4A1 P22736 1/20 0.46
S100B P04271 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5024630 1.00 NCF1 (0.68) NCF1TERTADRB2ADRB1NPY5R
SCHEMBL5024576 0.98 NCF1 (0.66) NCF1TERTADRB2ADRB1NPY5R
SCHEMBL5024400 0.90 NCF1 (0.65) NCF1TERTADRB2ADRB1PRKDC
SCHEMBL5040538 0.84 NCF1 (0.67) NCF1ADRB2ADRB1NPY5RMEN1
SCHEMBL5022719 0.84 NCF1 (0.67) NCF1ADRB2ADRB1NPY5RMEN1
SCHEMBL5404043 0.84 NCF1 (0.67) NCF1ADRB2ADRB1NPY5RMEN1
Hydrochloric Acid SCHEMBL5040427 0.82 NCF1 (0.65) NCF1ADRB2ADRB1NPY5RMEN1
SCHEMBL5026912 0.82 NCF1 (0.57) NCF1TERTADRB2ADRB1
SCHEMBL5024568 0.82 NCF1 (0.64) NCF1TERTADRB2ADRB1NPY5R
SCHEMBL5025365 0.82 NCF1 (0.64) NCF1ADRB2ADRB1NPY5RMEN1

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 NCF1 1858/4885TERT 4619/4885ADRB2 519/4885

“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.