SCHEMBL5022742

SCHEMBL5022742

Cc1cc(N2CCCC2)c2ccc(N(C)Cc3cccnc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 6/20 0.48
▸ DHODH Q02127 2/20 0.41
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37

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
SCHEMBL27597814 0.83 NCF1 (0.52) NCF1ADRB2ADRB1KDM4ENPY5R
SCHEMBL27597796 0.80 NCF1 (0.49) NCF1ADRB2ADRB1KDM4EALDH1A1
SCHEMBL5040387 0.78 FGFR1 (0.50) NCF1PDE3BPDE3A
SCHEMBL5022709 0.78 TERT (0.50) NCF1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5025401 0.78 NCF1 (0.46) NCF1KDM4EALDH1A1HPGDTSHR
SCHEMBL5025305 0.78 NCF1 (0.51) NCF1KDM4EALDH1A1HPGDTSHR
SCHEMBL5416659 0.76 NCF1 (0.56) NCF1ADRB2ADRB1KDM4EALDH1A1
SCHEMBL27597792 0.76 NCF1 (0.53) NCF1ADRB2ADRB1KDM4ENPY5R
SCHEMBL5024569 0.75 NCF1 (0.50) NCF1ADRB2ADRB1HSD17B10BCHE
SCHEMBL5028677 0.75 NCF1 (0.47) NCF1ADRB2ADRB1KDM4ENPY5R

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
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO 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 1858/4885DHODH 3420/4885ADRB2 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.

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