SCHEMBL13036142

SCHEMBL13036142

CC(C)N(C)C(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 3/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGS2 P35354 1/20 0.46
HDAC4 P56524 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
HPGD P15428 2/20 0.45
GRM1 Q13255 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MLYCD O95822 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL23303792 0.83 KMT2A (0.53) KDM4EKMT2AHSD17B10LMNAHTT
SCHEMBL23303793 0.83 KMT2A (0.53) KDM4EKMT2AHSD17B10LMNAHTT
SCHEMBL21399968 0.82 KDM4E (0.47) KDM4EKMT2AHSD17B10LMNAHTT
Di-Isopropyl Isonicotinamide SCHEMBL4103834 0.82 HPGD (0.50) KDM4EKMT2AHSD17B10LMNAHTT
SCHEMBL394512 0.79 HSD11B1 (0.53) KDM4EKMT2ALMNAHDAC4HPGD
SCHEMBL353139 0.79 KDM4E (0.60) KDM4EKMT2AHSD17B10LMNAHTT
SCHEMBL4000774 0.78 KDM4E (0.47) KDM4EKMT2AHSD17B10LMNAHTT
SCHEMBL6029641 0.78 HSD17B10 (0.55) KDM4EHSD17B10HTTGRM1ALDH1A1
SCHEMBL4503118 0.78 CA1 (0.47) LMNAHTTHDAC4HPGDALDH1A1
SCHEMBL12302001 0.78 ALDH1A1 (0.48) KMT2ALMNAHTTHDAC4HPGD

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-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7671073-B2 Cyclohexylalanine derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-02 US disclosed
US-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-31 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 KDM4E 389/4885KMT2A 2042/4885HSD17B10 875/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885KMT2A 2362/4885HSD17B10 2647/4885

“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.