SCHEMBL21672137

SCHEMBL21672137

CC(C)(C)c1cnc2nocc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23913875 0.68 SCN10A (0.44) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL12689681 0.68 DGAT1 (0.38)
SCHEMBL15935280 0.68 LMNA (0.31) LMNA
SCHEMBL21025312 0.68 TRPV1 (0.31)
SCHEMBL21672141 0.67
SCHEMBL4548645 0.67 TDO2 (0.33)
SCHEMBL25449344 0.67 FGFR1 (0.44)
SCHEMBL8272414 0.67 CCR1 (0.40) LMNATP53SMN1; SMN2
SCHEMBL14327674 0.66 CCR1 (0.52) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL2705713 0.66 LMNA (0.34) LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 NPC1 1623/4885LMNA 3404/4885TP53 1572/4885

“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.