SCHEMBL4084654

SCHEMBL4084654

Clc1ccc2c(N3CCOCC3)nc(C3CCCCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.47
NTSR1 P30989 8/20 0.45
MAT2A P31153 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
MAPT P10636 1/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL4085177 0.90 NTSR1 (0.48) NTSR1MAT2AALDH1A1L3MBTL1HRH4
SCHEMBL4088803 0.90 NTSR1 (0.48) NTSR1MAT2AALDH1A1L3MBTL1HRH4
SCHEMBL4093036 0.86 HRH4 (0.54) NTSR1MAT2AALDH1A1KDM4EL3MBTL1
SCHEMBL4092375 0.83 ALDH1A1 (0.62) NTSR1ALDH1A1KDM4EGAAMAPK1
SCHEMBL4089431 0.81 KDM4E (0.61) NTSR1ALDH1A1KDM4EGAAMAPK1
SCHEMBL4095784 0.80 NTSR1 (0.50) NTSR1MAT2AALDH1A1L3MBTL1HRH4
SCHEMBL17565791 0.79 SMN1; SMN2 (0.61) PRKDCMAT2AALDH1A1KDM4EL3MBTL1
SCHEMBL4095812 0.76 HRH4 (0.57) NTSR1ALDH1A1KDM4EL3MBTL1HRH4
SCHEMBL4088982 0.72 NTSR1 (0.70) NTSR1ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4095281 0.72 NTSR1 (0.49) NTSR1ALDH1A1L3MBTL1HRH4MAPT

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 PRKDC 3436/4885NTSR1 337/4885MAT2A 2011/4885

“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.