SCHEMBL5022830

SCHEMBL5022830

Cc1cc(N2CCC[C@H]2CO)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ CTNNB1 P35222 3/20 0.43
▸ TCF7L2 Q9NQB0 3/20 0.43
▸ MAPK14 Q16539 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TERT O14746 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ITK Q08881 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 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
SCHEMBL5022834 1.00 MLLT1 (0.44) MLLT1LRRK2DPP4CTNNB1TCF7L2
SCHEMBL5028622 0.92 CTNNB1 (0.52) MLLT1LRRK2DPP4CTNNB1TCF7L2
SCHEMBL5024434 0.92 CTNNB1 (0.52) MLLT1LRRK2DPP4CTNNB1TCF7L2
SCHEMBL5024431 0.92 CTNNB1 (0.52) MLLT1LRRK2DPP4CTNNB1TCF7L2
SCHEMBL5025429 0.89 CTNNB1 (0.51) CTNNB1TCF7L2MAPTMCHR1
SCHEMBL5025434 0.89 CTNNB1 (0.51) CTNNB1TCF7L2MAPTMCHR1
SCHEMBL5022680 0.88 BCL6 (0.41) TERT
SCHEMBL5022688 0.88 BCL6 (0.41) TERT
SCHEMBL5022650 0.83 RAB9A (0.46) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5022654 0.83 RAB9A (0.46) MEN1NPC1RAB9AKMT2AALDH1A1

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 3 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
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

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 MLLT1 3833/4885LRRK2 2742/4885DPP4 42/4885

“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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