SCHEMBL4095812

SCHEMBL4095812

CN1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.57
HTR3A P46098 7/20 0.53
NTSR1 P30989 10/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4093036 0.91 HRH4 (0.54) HRH4HTR3ANTSR1ALDH1A1KDM4E
SCHEMBL4095784 0.90 NTSR1 (0.50) HRH4NTSR1ALDH1A1MAPTPAX8
SCHEMBL4095281 0.85 NTSR1 (0.49) HRH4NTSR1ALDH1A1MAPTPAX8
SCHEMBL4095451 0.84 NTSR1 (0.69) HTR3ANTSR1ALDH1A1KDM4EMAPT
SCHEMBL4091432 0.83 NTSR1 (0.64) HRH4HTR3ANTSR1ALDH1A1KDM4E
SCHEMBL4754337 0.82 NTSR1 (0.43) HRH4HTR3ANTSR1ALDH1A1KDM4E
SCHEMBL4094967 0.81 IDE (0.50) NTSR1ALDH1A1KDM4ECASP1CASP7
SCHEMBL4085145 0.81 NTSR1 (0.65) HRH4HTR3ANTSR1ALDH1A1KDM4E
SCHEMBL4088803 0.80 NTSR1 (0.48) HRH4NTSR1ALDH1A1CASP1MAPT
SCHEMBL4085177 0.80 NTSR1 (0.48) HRH4NTSR1ALDH1A1CASP1MAPT

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 HRH4 14/4885HTR3A 637/4885NTSR1 337/4885

“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.