SCHEMBL2847902

SCHEMBL2847902

CC(=O)NC1(C)CC2CCC(C1)N2c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.40
OPRM1 P35372 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC6A7 Q99884 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 2/20 0.33
GAA P10253 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
SCHEMBL2847899 1.00 OPRL1 (0.40) OPRL1OPRM1KDM4EKMT2AMEN1
SCHEMBL2847188 0.73 KDM4E (0.43) OPRL1OPRM1KDM4EKMT2AMEN1
SCHEMBL2847189 0.73 KDM4E (0.43) OPRL1OPRM1KDM4EKMT2AMEN1
SCHEMBL8293821 0.73 HCRTR1 (0.35) OPRL1OPRM1KDM4EKMT2AMEN1
SCHEMBL21653769 0.69 KMT2A (0.46) OPRM1KMT2AMEN1ALDH1A1LMNA
SCHEMBL21631693 0.69 KMT2A (0.46) OPRM1KMT2AMEN1ALDH1A1LMNA
SCHEMBL1024219 0.66 KDM4E (0.41) KDM4EKMT2AMEN1SLC6A7CYP2C19
SCHEMBL3579782 0.64 SLC6A7 (0.37) KDM4EKMT2AMEN1SLC6A7CYP2C19
SCHEMBL18081206 0.64 OPRM1 (0.45) OPRM1KDM4ESLC6A7CYP2C19DRD2
SCHEMBL26156915 0.64 KDM4E (0.36) KDM4EKMT2AMEN1SLC6A7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
EP-1664031-B1 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 WO 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-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 OPRL1 2900/4885OPRM1 3387/4885KDM4E 886/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 OPRL1 2900/4885OPRM1 3387/4885KDM4E 886/4885

“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.