SCHEMBL4097528

SCHEMBL4097528

CCOC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 1/20 0.54
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
IDE P14735 1/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
HTT P42858 1/20 0.52
GLA P06280 1/20 0.51

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
SCHEMBL4085181 0.92 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4096171 0.90 MEN1 (0.67) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL4090457 0.88 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4091440 0.86 KMT2A (0.55) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4084671 0.86 HDAC3 (0.54) ALDH1A1HPGDMAPTTSHRNPSR1
SCHEMBL4084978 0.84 MAPT (0.57) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4095392 0.80 MEN1 (0.63) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4094967 0.80 IDE (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4085268 0.80 MAPT (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4095097 0.80 HDAC3 (0.62) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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 MEN1 718/4885KMT2A 1424/4885SMN1; SMN2 1281/4885

“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.