SCHEMBL5022650

SCHEMBL5022650

Cc1cc(N2CCC[C@H]2CO)c2ccc(NC(=O)c3cccnc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.46
▸ NPC1 O15118 8/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 7/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ LDLR P01130 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ REV1 Q9UBZ9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL5022654 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5025434 0.85 CTNNB1 (0.51) SMN1; SMN2MAPT
SCHEMBL5025429 0.85 CTNNB1 (0.51) SMN1; SMN2MAPT
SCHEMBL5024374 0.85 PARP14 (0.44) PIK3CA
SCHEMBL5024380 0.85 PARP14 (0.44) PIK3CA
SCHEMBL5022830 0.83 MLLT1 (0.44) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL5022834 0.83 MLLT1 (0.44) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL5022762 0.83 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5022904 0.81 TERT (0.44) ALDH1A1MAPTLMNAKDM4E
SCHEMBL5022898 0.81 TERT (0.44) ALDH1A1MAPTLMNAKDM4E

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
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 RAB9A 1050/4885NPC1 172/4885SMN1; 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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