SCHEMBL16293797

SCHEMBL16293797

CN1CCN(C(=O)CNCc2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.64
▸ HTT P42858 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL13621171 0.82 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL13621178 0.81 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2L3MBTL1ALOX15
SCHEMBL15994417 0.80 KDM4E (0.43) KDM4EHTTKDM1AMAOBL3MBTL1
SCHEMBL13621172 0.80 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1POLBTDP1
SCHEMBL17364569 0.78 KDM4E (0.42) KDM4EHTTSMN1; SMN2KDM1AMAOB
SCHEMBL13793636 0.76 SMN1; SMN2 (0.56) KDM4EHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15995309 0.76 KDM4E (0.40) KDM4EHTTKDM1AMAOBMAOA
SCHEMBL16303320 0.76 KDM4E (0.40) KDM4EHTTKDM1AMAOBMAOA
SCHEMBL12831873 0.75 SMN1; SMN2 (0.59) KDM4EHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29832698 0.75 SMN1; SMN2 (0.62) KDM4EHTTALDH1A1SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM4E 14/4885HTT 627/4885ALDH1A1 1536/4885

“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.

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