SCHEMBL4085181

SCHEMBL4085181

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
IDE P14735 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 1/20 0.48
MTOR P42345 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 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
SCHEMBL4097528 0.92 MEN1 (0.54) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4085268 0.88 MAPT (0.52) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4095307 0.88 MEN1 (0.53) MEN1KMT2AHSD17B10RAB9AHDAC3
SCHEMBL4095930 0.87 MEN1 (0.66) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13984098 0.84 MEN1 (0.53) MEN1KMT2AKDM4ERAB9AHDAC3
SCHEMBL4090457 0.83 ALDH1A1 (0.48) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4096171 0.82 MEN1 (0.67) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL4092114 0.82 MEN1 (0.57) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL4100017 0.82 KMT2A (0.52) MEN1KMT2AKDM4EHSD17B10CYP1A2
SCHEMBL4091440 0.81 KMT2A (0.55) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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 1424/4885KDM4E 1626/4885

“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.