SCHEMBL3246143

SCHEMBL3246143

CO[C@@H]1CC[C@@](Cc2ccccc2)(OC(N)=O)[C@@H](CO)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
MMP1 P03956 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNA3 P22001 1/20 0.34
METAP2 P50579 2/20 0.33
OPRM1 P35372 3/20 0.33
ADAM17 P78536 2/20 0.33
OPRL1 P41146 2/20 0.33
BACE1 P56817 1/20 0.33
OPRK1 P41145 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3246147 1.00 DPP4 (0.37) DPP4MMP1LMNAALDH1A1KCNA3
SCHEMBL3246146 1.00 DPP4 (0.37) DPP4MMP1LMNAALDH1A1KCNA3
SCHEMBL15655590 0.67 DPP4 (0.52) DPP4MMP1LMNAKCNA3OPRM1
SCHEMBL28951054 0.66 CTSK (0.49) LMNAALDH1A1
SCHEMBL2204407 0.65 ALDH1A1 (0.36) DPP4LMNAALDH1A1HSD11B1SMN1; SMN2
SCHEMBL7531427 0.65 CTSK (0.50) LMNAALDH1A1
SCHEMBL2620046 0.64 DPP4 (0.38) DPP4OPRL1BACE1
SCHEMBL2622909 0.64 DPP4 (0.38) DPP4OPRL1BACE1
SCHEMBL2931085 0.64 DPP4 (0.38) DPP4OPRL1BACE1
SCHEMBL2931088 0.64 DPP4 (0.38) DPP4OPRL1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049519-B9 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-12-29 EP disclosed
EP-2049519-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-05-12 EP disclosed
US-7687508-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-30 US disclosed
US-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 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 (1 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-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR5, CXCR4, CCR7 DPP4 928/4885MMP1 1131/4885LMNA 4510/4885

“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.