SCHEMBL13035375

SCHEMBL13035375

CC1CCN(c2cnccn2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
GPR119 Q8TDV5 2/20 0.47
GRM1 Q13255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP11B2 P19099 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL14177933 0.90 CYP11B2 (0.49) KDM4EGRM1RXFP1CYP11B2
SCHEMBL13035731 0.89 KDM4E (0.59) KDM4EGPR119RXFP1TP53L3MBTL1
Ammonia Solution, Strong SCHEMBL8131031 0.88 KDM4E (0.57) KDM4EGPR119RXFP1TP53L3MBTL1
SCHEMBL13703142 0.85 KDM4E (0.46) KDM4EGPR119GRM1RXFP1TP53
SCHEMBL24928451 0.79 KDM4E (0.52) KDM4EGPR119GRM1RXFP1TP53
SCHEMBL30718898 0.79 KDM4E (0.52) KDM4EGPR119GRM1RXFP1TP53
SCHEMBL1267664 0.79 KDM4E (0.49) KDM4EGPR119GRM1RXFP1TP53
SCHEMBL18239409 0.79 KDM4E (0.49) KDM4EGPR119RXFP1
SCHEMBL27140276 0.79 KDM4E (0.52) KDM4EGPR119GRM1RXFP1TP53
SCHEMBL12988997 0.79 KDM4E (0.49) KDM4EGPR119GRM1RXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-09-03 US disclosed
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-09-03 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
WO-2007081897-A2 FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-07-19 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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885GPR119 77/4885GRM1 58/4885
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 KDM4E 3697/4885GPR119 370/4885GRM1 361/4885

“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.