SCHEMBL8444064

SCHEMBL8444064

CCN1CCC(NC)(C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
HSD11B1 P28845 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL8443686 0.84 CNR1 (0.42) KDM4EKMT2AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8436912 0.81 KDM4E (0.46) KDM4EKMT2AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8434176 0.81 CYP2D6 (0.62) KDM4EKMT2AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14418497 0.81 SMN1; SMN2 (0.40) KDM4EKMT2AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10280093 0.79 KDM4E (0.57) KDM4EKMT2AALDH1A1CYP2D6CA12
SCHEMBL4449175 0.78 KMT2A (0.45) KDM4EKMT2AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3715654 0.77
SCHEMBL14367300 0.77 KDM4E (0.55) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL3210066 0.76 CYP2D6 (0.76) KMT2AALDH1A1CYP2D6OPRM1OPRD1
SCHEMBL14418549 0.76 SMN1; SMN2 (0.42) KDM4EALDH1A1CYP2D6SMN1; SMN2HSD11B1

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 3 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-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 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 (2 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 3816/4885ALDH1A1 1683/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 KDM4E 3489/4885KMT2A 3664/4885ALDH1A1 2311/4885

“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.