SCHEMBL5025401

SCHEMBL5025401

Cc1cc(N2CCCC2)c2ccc(N(C)C(=O)c3cccnc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ITK Q08881 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 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
SCHEMBL27597814 0.81 NCF1 (0.52) NCF1SMN1; SMN2MAPTLMNAHSD17B10
SCHEMBL5022762 0.81 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5022742 0.78 NCF1 (0.48) NCF1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL27597796 0.77 NCF1 (0.49) NCF1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL27597792 0.74 NCF1 (0.53) NCF1SMN1; SMN2MAPTLMNAHSD17B10
SCHEMBL5416659 0.74 NCF1 (0.56) NCF1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5025361 0.74 NCF1 (0.53) NCF1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5412427 0.73 NCF1 (0.59) NCF1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5028584 0.73 NCF1 (0.65) NCF1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL5518457 0.71 NCF1 (0.62) NCF1L3MBTL1MAPTLMNAHSD17B10

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 12 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 claimed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 — — CN claimed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US claimed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO claimed
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 NCF1 1858/4885ALDH1A1 1477/4885SMN1; SMN2 2329/4885

“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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