SCHEMBL3542308

SCHEMBL3542308

O=C(O)C(O)CCCNc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
PDE10A Q9Y233 2/20 0.39
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
KIT P10721 1/20 0.35
AR P10275 5/20 0.35
MME P08473 1/20 0.35
PIK3CD O00329 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PTPRC P08575 1/20 0.33
C1R P00736 1/20 0.33
ABL1 P00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL828155 0.85 FFAR1 (0.41) FFAR1PDE10AKITARPIK3CD
SCHEMBL3544383 0.83 PDE10A (0.39) FFAR1PDE10AKITARPIK3CD
SCHEMBL824921 0.83 FFAR1 (0.42) FFAR1PDE10AKITARC1R
SCHEMBL3545503 0.82 PDE10A (0.41) FFAR1PDE10AKITARPIK3CD
SCHEMBL824770 0.81 AR (0.39) FFAR1PDE10AKITARPTPRC
SCHEMBL3545247 0.81 PDE10A (0.39) FFAR1PDE10AKITARPTPRC
SCHEMBL3545250 0.81 PDE10A (0.39) FFAR1PDE10AKITARPTPRC
SCHEMBL3542307 0.81 PDE10A (0.39) FFAR1PDE10AKITARPTPRC
SCHEMBL827517 0.81 PDE10A (0.40) FFAR1PDE10AKITARPTPRC
SCHEMBL824735 0.81 PDE10A (0.40) FFAR1PDE10AKITARPTPRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 FFAR1 3537/4885PDE10A 3478/4885CYP1A2 114/4885

“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.