SCHEMBL5024540

SCHEMBL5024540

Cc1cc(N2CCC[C@H]2COCC2CC2)c2ccc(Nc3cccnc3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.40
PIK3CA P42336 2/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB3 Q05901 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
IMPDH2 P12268 2/20 0.33
ADORA2A P29274 2/20 0.33
SCN9A Q15858 1/20 0.33
KIT P10721 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL5024550 1.00 PARP14 (0.40) PARP14PIK3CAOPRD1OPRK1CHRNB1
Hydrochloric Acid SCHEMBL5022665 0.99 PARP14 (0.39) PARP14PIK3CAOPRD1OPRK1CHRNB1
Hydrochloric Acid SCHEMBL5022656 0.99 PARP14 (0.39) PARP14PIK3CAOPRD1OPRK1CHRNB1
SCHEMBL5022778 0.92 ADORA2A (0.38) PARP14PIK3CAOPRD1OPRK1CHRNB1
SCHEMBL5022774 0.92 ADORA2A (0.38) PARP14PIK3CAOPRD1OPRK1CHRNB1
Hydrochloric Acid SCHEMBL5024393 0.92 ADORA2A (0.37) PARP14PIK3CAOPRD1OPRK1CHRNB1
Hydrochloric Acid SCHEMBL5024390 0.92 ADORA2A (0.37) PARP14PIK3CAOPRD1OPRK1CHRNB1
SCHEMBL5024380 0.87 PARP14 (0.44) PARP14PIK3CAIMPDH2ADORA2A
SCHEMBL5024374 0.87 PARP14 (0.44) PARP14PIK3CAIMPDH2ADORA2A
SCHEMBL5104241 0.84 HRH3 (0.37) ADORA2AKITTERT

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 6 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
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN 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 PARP14 2658/4885PIK3CA 3173/4885OPRD1 215/4885

“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.