SCHEMBL5022573

SCHEMBL5022573

CCOC1CCN(c2cc(C)nc3cc(NC(=O)c4cccnc4)ccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 8/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PIN1 Q13526 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ REV1 Q9UBZ9 1/20 0.42
▸ HTT P42858 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
SCHEMBL5022565 1.00 POLB (0.49) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5022722 0.92 RAB9A (0.45) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5022732 0.92 RAB9A (0.45) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5025332 0.91 RAB9A (0.48) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5025333 0.91 RAB9A (0.48) POLBRAB9ASMN1; SMN2NPC1MAPT
Hydrochloric Acid SCHEMBL6711694 0.90 PIN1 (0.50) RAB9ANPC1PIN1
SCHEMBL5024505 0.86 HTR1A (0.49) MAPT
SCHEMBL5024506 0.86 HTR1A (0.49) MAPT
SCHEMBL5022781 0.85 PIK3CA (0.40) ALDH1A1PIK3CAMEN1KMT2A
SCHEMBL5022777 0.85 PIK3CA (0.40) ALDH1A1PIK3CAMEN1KMT2A

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 POLB 4469/4885RAB9A 1050/4885SMN1; 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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