SCHEMBL1507145

SCHEMBL1507145

NC(=O)c1ncccc1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL29898842 0.98 KDM4E (0.41) KDM4EMAPTCYP1A2PARP15PARP10
SCHEMBL4968774 0.94 CNR1 (0.43) KDM4EMAPTCYP1A2PARP15PARP10
SCHEMBL3672284 0.90 CNR1 (0.46) CNR1CNR2CYP3A4
SCHEMBL3668330 0.82 MAPT (0.39) KDM4EMAPTCYP1A2CNR1CNR2
SCHEMBL6984087 0.79 GPR119 (0.51) KDM4E
SCHEMBL8535821 0.79 CNR1 (0.43) KDM4EMAPTCYP1A2CNR1CNR2
SCHEMBL28001171 0.79 KDM4E (0.50) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL3675628 0.79 POLB (0.46) KDM4EMAPTALDH1A1L3MBTL1PARP1
SCHEMBL1503132 0.78 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL4030545 0.78 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2

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
EP-2300422-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP claimed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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 (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-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 KDM4E 4258/4885MAPT 3427/4885CYP1A2 1224/4885

“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.