SCHEMBL6010017

SCHEMBL6010017

CNC1(C(N)=O)CN(C(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6010009 0.81 KDM4E (0.52) KDM4EKMT2AATMALDH1A1
SCHEMBL8254729 0.79 CNR1 (0.33) KDM4EKMT2AATMCRHBPCRHR2
SCHEMBL8259518 0.79 ALDH1A1 (0.40) KDM4EKMT2AATMCRHBPCRHR2
SCHEMBL13600121 0.77 KDM4E (0.50) KDM4EKMT2A
SCHEMBL4445083 0.73 KDM4E (0.47) KDM4EKMT2A
SCHEMBL27645416 0.73 KDM4E (0.40) KDM4EKMT2A
SCHEMBL8261375 0.72 ATM (0.39) ATMCRHBPCRHR2ALDH1A1
SCHEMBL19271778 0.72 ATM (0.39) ATMCRHBPCRHR2ALDH1A1
SCHEMBL25961264 0.72 KDM4E (0.46) KDM4EKMT2A
SCHEMBL17276043 0.71 ATM (0.38) ATMCRHBPCRHR2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US 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 (3 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885ATM 4526/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885ATM 4526/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 KDM4E 3352/4885KMT2A 3785/4885ATM 4540/4885

“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.