SCHEMBL25659947

SCHEMBL25659947

CCOC(=O)c1cn(Cc2ccc(CC)cn2)nc1C1COC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL24863354 0.94 CA12 (0.36) ELANENPC1LMNAKLKB1MAPT
SCHEMBL24863355 0.93 LMNA (0.38) ELANENPC1LMNAKLKB1MAPT
SCHEMBL25659769 0.87 KLKB1 (0.46) KLKB1
SCHEMBL24863528 0.84 KLKB1 (0.38) NPC1LMNAKLKB1RAB9AGRM2
SCHEMBL25659772 0.81 KLKB1 (0.32) ELANEKLKB1MAPTGRM2
SCHEMBL25659962 0.81 KLKB1 (0.32) ELANEKLKB1MAPT
SCHEMBL24863520 0.77 KLKB1 (0.52) KLKB1
SCHEMBL25659886 0.76 KLKB1 (0.38) LMNAKLKB1MAPTKDM4EALDH1A1
SCHEMBL24863505 0.76 KLKB1 (0.43) NPC1LMNAKLKB1MAPTKDM4E
SCHEMBL21354835 0.76 KLKB1 (0.49) KLKB1KDM4EALDH1A1HPGD

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-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 — — 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-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 ELANE 2441/4885NPC1 95/4885LMNA 2727/4885

“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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