SCHEMBL4085177

SCHEMBL4085177

Clc1ccc2c(N3CCCC3)nc(C3CCCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 7/20 0.48
MAT2A P31153 2/20 0.48
PDE10A Q9Y233 2/20 0.47
CHKA P35790 1/20 0.46
CHRM3 P20309 4/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
NPY5R Q15761 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PAX8 Q06710 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4088803 1.00 NTSR1 (0.48) NTSR1MAT2APDE10ACHKACHRM3
SCHEMBL4093036 0.90 HRH4 (0.54) NTSR1MAT2AALDH1A1MAPTPAX8
SCHEMBL4084654 0.90 PRKDC (0.47) NTSR1MAT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL4095784 0.90 NTSR1 (0.50) NTSR1MAT2APDE10ACHRM3PDE4A
SCHEMBL4088982 0.81 NTSR1 (0.70) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4090824 0.81 NTSR1 (0.62) NTSR1NPY5RALDH1A1MAPTL3MBTL1
SCHEMBL4259838 0.81 NTSR1 (0.62) NTSR1NPY5RALDH1A1MAPTL3MBTL1
SCHEMBL4097329 0.81 NTSR1 (0.62) NTSR1NPY5RALDH1A1MAPTL3MBTL1
SCHEMBL4095812 0.80 HRH4 (0.57) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4089263 0.79 NTSR1 (0.64) NTSR1NPY5RALDH1A1MAPTL3MBTL1

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
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 NTSR1 337/4885MAT2A 2011/4885PDE10A 2332/4885

“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.