SCHEMBL2851430

SCHEMBL2851430

CC(=O)N[C@]1(C)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
OPRK1 P41145 4/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 4/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
NR1H2 P55055 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21653769 1.00 KMT2A (0.46) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL21631693 1.00 KMT2A (0.46) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL2851436 1.00 KMT2A (0.46) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL21631548 0.90 OPRK1 (0.46) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL21631545 0.90 OPRK1 (0.46) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL21631605 0.83 L3MBTL1 (0.60) KMT2AL3MBTL1USP2OPRK1KCNH2
SCHEMBL21631606 0.83 L3MBTL1 (0.60) KMT2AL3MBTL1USP2OPRK1KCNH2
SCHEMBL23265862 0.80 CHRM2 (0.42) KMT2AMEN1L3MBTL1USP2OPRK1
SCHEMBL2841486 0.78 CHRM2 (0.49) KMT2AMEN1L3MBTL1OPRK1KCNH2
SCHEMBL2841484 0.78 CHRM2 (0.49) KMT2AMEN1L3MBTL1OPRK1KCNH2

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
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
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

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 KMT2A 4096/4885MEN1 3952/4885L3MBTL1 4264/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 KMT2A 4096/4885MEN1 3952/4885L3MBTL1 4264/4885

“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.