SCHEMBL5025429

SCHEMBL5025429

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 9/20 0.51
▸ TCF7L2 Q9NQB0 9/20 0.51
▸ HTR1A P08908 4/20 0.47
▸ HTR1B P28222 4/20 0.47
▸ HTR1D P28221 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR1F P30939 3/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL5025434 1.00 CTNNB1 (0.51) CTNNB1TCF7L2HTR1AHTR1BHTR1D
SCHEMBL5028536 0.91 CTNNB1 (0.63) CTNNB1TCF7L2HTR1AHTR1BHTR1D
SCHEMBL5028530 0.91 CTNNB1 (0.63) CTNNB1TCF7L2HTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL5028655 0.90 CTNNB1 (0.62) CTNNB1TCF7L2HTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL5028652 0.90 CTNNB1 (0.62) CTNNB1TCF7L2HTR1AHTR1BHTR1D
SCHEMBL5022830 0.89 MLLT1 (0.44) CTNNB1TCF7L2MAPTMCHR1
SCHEMBL5022834 0.89 MLLT1 (0.44) CTNNB1TCF7L2MAPTMCHR1
SCHEMBL27597773 0.86 CTNNB1 (0.51) CTNNB1TCF7L2HTR1AHTR1BHTR1D
SCHEMBL5022650 0.85 RAB9A (0.46) MAPTSMN1; SMN2
SCHEMBL5022654 0.85 RAB9A (0.46) MAPTSMN1; SMN2

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 6 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
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 CTNNB1 4659/4885TCF7L2 1803/4885HTR1A 157/4885

“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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