SCHEMBL5022706

SCHEMBL5022706

COCCNc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.51
TERT O14746 1/20 0.48
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HSP90AB1 P08238 1/20 0.40
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5024412 0.81 NCF1 (0.53) NCF1KDM4EADRB2ADRB1MEN1
SCHEMBL5025329 0.81 NCF1 (0.53) NCF1KDM4EADRB2ADRB1MEN1
SCHEMBL6709246 0.80 MRGPRX1 (0.47) NCF1
SCHEMBL5024595 0.80 RAB9A (0.54) NCF1KDM4EMEN1KMT2A
SCHEMBL5022694 0.80 NCF1 (0.52) NCF1ADRB2ADRB1
SCHEMBL5024388 0.80 CTNNB1 (0.49) NCF1MEN1KMT2A
SCHEMBL5022553 0.79 NCF1 (0.51) NCF1TERTKDM4EADRB2ADRB1
SCHEMBL5024554 0.79 NCF1 (0.51) NCF1KDM4EMEN1KMT2A
SCHEMBL5022695 0.79 NCF1 (0.51) NCF1KDM4EADRB2ADRB1MEN1
SCHEMBL5037445 0.79 NCF1 (0.53) NCF1KDM4EADRB2ADRB1MEN1

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 4619/4885KDM4E 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.