SCHEMBL5022732

SCHEMBL5022732

Cc1cc(N2CCC(OCC3CC3)C2)c2ccc(NC(=O)c3cccnc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ GAA P10253 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ REV1 Q9UBZ9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LDLR P01130 1/20 0.40

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
SCHEMBL5022722 1.00 RAB9A (0.45) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5022573 0.92 POLB (0.49) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5022565 0.92 POLB (0.49) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5025332 0.90 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5025333 0.90 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTGAA
Hydrochloric Acid SCHEMBL6711694 0.82 PIN1 (0.50) RAB9ANPC1HTR1ADRD2HTR1D
SCHEMBL5022762 0.81 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL5024506 0.78 HTR1A (0.49) MAPTHTR1AHTR1DHTR1B
SCHEMBL5024505 0.78 HTR1A (0.49) MAPTHTR1AHTR1DHTR1B
SCHEMBL5026881 0.78 MLLT1 (0.42) RAB9ANPC1MAPTPOLBMEN1

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
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 RAB9A 1050/4885SMN1; SMN2 2329/4885NPC1 172/4885

“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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