SCHEMBL8259098

SCHEMBL8259098

CCNC1(C(N)=O)CCN(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.40
CNR2 P34972 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL14413678 0.87 GRIN2D (0.33) CNR1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18774636 0.85 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL8254729 0.83 CNR1 (0.33) CNR1KDM4EKMT2AATM
SCHEMBL6010009 0.81 KDM4E (0.52) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13804337 0.80
SCHEMBL8443686 0.79 CNR1 (0.42) CNR1CNR2OPRM1ALDH1A1CYP2D6
SCHEMBL21986166 0.79 CNR1 (0.42) CNR1CNR2ALDH1A1CYP2D6KDM4E
SCHEMBL12136871 0.78 CNR1 (0.41) CNR1CNR2ALDH1A1CYP2D6
SCHEMBL8253488 0.77 ALDH1A1 (0.51) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24946123 0.74 KDM4E (0.38) CNR1CNR2ALDH1A1CYP2D6KDM4E

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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
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-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 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 (5 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 CNR1 1/4885CNR2 2/4885GRIN2D 525/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885GRIN2D 532/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885GRIN2D 525/4885
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 CNR1 3403/4885CNR2 2932/4885GRIN2D 4784/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885GRIN2D 540/4885

“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.