SCHEMBL19102404

SCHEMBL19102404

CC(C)[C@H]1CC[C@@H](N(C)Cc2cccnc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
OPRK1 P41145 1/20 0.50
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRNA7 P36544 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL18744281 1.00 KDM4E (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL19194546 1.00 KDM4E (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL18744480 0.90 KDM4E (0.64) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL6583746 0.90 KDM4E (0.78) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL13744576 0.84 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17297788 0.84 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17297978 0.84 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL20749660 0.83 KDM4E (0.68) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL19194519 0.83 KDM4E (0.68) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL3130725 0.82 KDM4E (0.72) KDM4EALDH1A1CHRNB2CHRNA4OPRK1

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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 KDM4E 1189/4885ALDH1A1 594/4885CHRNB2 4782/4885

“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.