SCHEMBL13729048

SCHEMBL13729048

CC(C)c1ccc(-c2cnccn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PIM1 P11309 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NISCH Q9Y2I1 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
SCHEMBL13729557 0.76 KDM4E (0.67) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL13750594 0.76 CYP1A2 (0.40) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL13729238 0.74 CYP2A6 (0.49) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL21623942 0.72 RAB9A (0.39) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL21623958 0.72 NPC1 (0.39) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL30540000 0.72 NPC1 (0.39) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL13745314 0.71 CYP2D6 (0.41) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL5951002 0.71 CHRNA7 (0.37) CHRNA7
SCHEMBL78566 0.71 NISCH (0.50) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL29454745 0.71 NISCH (0.50) ALDH1A1RAB9AKDM4ENPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R ALDH1A1 3958/4885RAB9A 3311/4885KDM4E 1381/4885

“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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