SCHEMBL5024451

SCHEMBL5024451

Cc1cc(N2CCCC2)c2ccc(NCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.46
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
LRRK2 Q5S007 1/20 0.43
CACNA1B Q00975 2/20 0.41
CACNA1H O95180 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE5A O76074 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5522402 0.94 NCF1 (0.46) NCF1HTTALDH1A1LMNAPOLB
SCHEMBL5024554 0.88 NCF1 (0.51) NCF1HTTALDH1A1MEN1KMT2A
SCHEMBL5026871 0.86 NPC1 (0.52) NCF1HTTALDH1A1LMNATSHR
SCHEMBL5024388 0.86 CTNNB1 (0.49) NCF1MEN1KMT2AGAA
SCHEMBL5026895 0.86 NCF1 (0.51) NCF1HTTALDH1A1LMNAPOLB
SCHEMBL5028716 0.85 NCF1 (0.50) NCF1HTTALDH1A1LMNAPOLB
SCHEMBL5024595 0.84 RAB9A (0.54) NCF1ALDH1A1LMNAPOLBMEN1
SCHEMBL5022553 0.84 NCF1 (0.51) NCF1HTTALDH1A1ADRB2ADRB1
SCHEMBL5026876 0.83 NCF1 (0.46) NCF1HRH4CACNA1BMEN1KMT2A
SCHEMBL5521290 0.82 NCF1 (0.43) NCF1HTTALDH1A1LMNAPOLB

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
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 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

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 1858/4885HTT 965/4885ALDH1A1 1477/4885

“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.