SCHEMBL3582976

SCHEMBL3582976

CN(C(=O)OC(C)(C)C)C1CCN(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.39
MCHR1 Q99705 4/20 0.36
KCNH2 Q12809 1/20 0.35
CCR2 P41597 3/20 0.35
DRD2 P14416 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
CCR5 P51681 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
SCHEMBL13168320 0.93 DDR1 (0.39) DDR1MCHR1MEN1KMT2AKDM4D
SCHEMBL14161792 0.85 DDR1 (0.37) DDR1MCHR1KDM4DCCR5
SCHEMBL3582979 0.84 CCR2 (0.40) DDR1KCNH2CCR2DRD2
SCHEMBL13168194 0.83 CNR1 (0.45) DDR1CCR2MEN1KMT2A
SCHEMBL4441032 0.79 DRD2 (0.41) CCR2DRD2MEN1KMT2AGRM2
SCHEMBL3588568 0.79 ALDH1A1 (0.40) CCR2MEN1KMT2AUBE2MDCUN1D1
SCHEMBL3601606 0.78 CCR2 (0.40) CCR2DRD2MEN1KMT2AUBE2M
SCHEMBL3593060 0.78 ALDH1A1 (0.49) KCNH2CCR2DRD2MEN1KMT2A
SCHEMBL4447331 0.77 MEN1 (0.38) CCR2DRD2MEN1KMT2AGRM2
SCHEMBL4447977 0.77 MC4R (0.36) MEN1KMT2AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DDR1 2524/4885MCHR1 551/4885KCNH2 2253/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DDR1 2524/4885MCHR1 551/4885KCNH2 2253/4885

“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.