SCHEMBL4095281

SCHEMBL4095281

CC(=O)N1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 13/20 0.49
CLK1 P49759 1/20 0.46
MAPT P10636 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
NCF1 P14598 1/20 0.42

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
SCHEMBL4094967 0.87 IDE (0.50) NTSR1MAPTALDH1A1
SCHEMBL4095812 0.85 HRH4 (0.57) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4090980 0.85 NTSR1 (0.63) NTSR1MAPTALDH1A1PAX8L3MBTL1
SCHEMBL4095784 0.85 NTSR1 (0.50) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4754337 0.80 NTSR1 (0.43) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4789131 0.79 NTSR1 (0.41) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4084671 0.78 HDAC3 (0.54) CLK1MAPTALDH1A1NCF1
SCHEMBL4093036 0.77 HRH4 (0.54) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4088803 0.76 NTSR1 (0.48) NTSR1MAPTHRH4ALDH1A1PAX8
SCHEMBL4085177 0.76 NTSR1 (0.48) NTSR1MAPTHRH4ALDH1A1PAX8

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
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

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 337/4885CLK1 701/4885MAPT 4125/4885

“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.