SCHEMBL20028833

SCHEMBL20028833

CC(C)OCCC[C@@H]1CCN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KDM1A O60341 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
CYP2C19 P33261 1/20 0.30
DPP4 P27487 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL19477247 1.00 NCF1 (0.35) NCF1ALDH1A1TSHRKDM1AMAPT
SCHEMBL20028304 1.00 NCF1 (0.35) NCF1ALDH1A1TSHRKDM1AMAPT
SCHEMBL25492962 0.91 NCF1 (0.41) NCF1ALDH1A1TSHRKDM1AMAPT
SCHEMBL14032268 0.89 NCF1 (0.38) NCF1KDM1ACHRM2CHRM1CHRM3
SCHEMBL29329974 0.84 KDM1A (0.33) KDM1AACHE
SCHEMBL29323908 0.83 GNAO1 (0.38) NCF1KDM1ACHRM2CHRM1CHRM3
SCHEMBL23205107 0.81 GPR119 (0.38) NCF1ALDH1A1TSHRKDM1AGPR119
SCHEMBL26743216 0.81 HRH3 (0.45) KDM1AACHE
SCHEMBL29324792 0.80 CYP2D6 (0.38) KDM1A
SCHEMBL26744662 0.80 NPY1R (0.37) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 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-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 NCF1 1992/4885ALDH1A1 257/4885TSHR 2499/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT NCF1 2659/4885ALDH1A1 662/4885TSHR 3397/4885

“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.