SCHEMBL8434176

SCHEMBL8434176

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
HSD11B1 P28845 3/20 0.33
KMT2A Q03164 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
SCHEMBL14388170 0.90 CYP2D6 (0.56) CYP2D6ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL14388258 0.85 CYP2D6 (0.46) CYP2D6ALDH1A1SMN1; SMN2KDM4EOPRM1
SCHEMBL8443208 0.83 ALDH1A1 (0.47) CYP2D6ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL8444064 0.81 KDM4E (0.52) CYP2D6ALDH1A1SMN1; SMN2KDM4EOPRM1
SCHEMBL8437435 0.81 ALDH1A1 (0.55) CYP2D6ALDH1A1KDM4EKMT2A
SCHEMBL12258804 0.80 ALDH1A1 (0.51) CYP2D6ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL8443686 0.79 CNR1 (0.42) CYP2D6ALDH1A1SMN1; SMN2KDM4EOPRM1
SCHEMBL8193648 0.78 ALDH1A1 (0.50) CYP2D6ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL12870586 0.78 ALDH1A1 (0.50) CYP2D6ALDH1A1KDM4EKMT2A
SCHEMBL3934933 0.77 CYP2D6 (1.00) CYP2D6ALDH1A1OPRM1OPRD1OPRK1

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 6 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-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US 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 CYP2D6 1363/4885ALDH1A1 1683/4885SMN1; SMN2 3678/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP2D6 1363/4885ALDH1A1 1683/4885SMN1; SMN2 3678/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CYP2D6 1404/4885ALDH1A1 1926/4885SMN1; SMN2 3902/4885

“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.