SCHEMBL21047354

SCHEMBL21047354

CC(C)[C@@H](N)c1cn(CC2CCN(C)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.40
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CPB1 P15086 4/20 0.33
▸ CPB2 Q96IY4 3/20 0.33
▸ PHF8 Q9UPP1 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ NCF1 P14598 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
SCHEMBL19867699 1.00 KDM2B (0.40) KDM2BCYP1A2CYP2D6CPB1CPB2
SCHEMBL21047352 1.00 KDM2B (0.40) KDM2BCYP1A2CYP2D6CPB1CPB2
SCHEMBL19867707 1.00 KDM2B (0.40) KDM2BCYP1A2CYP2D6CPB1CPB2
SCHEMBL21047350 1.00 KDM2B (0.40) KDM2BCYP1A2CYP2D6CPB1CPB2
SCHEMBL21085347 0.83 CPB1 (0.32) CPB1
SCHEMBL19859663 0.83 CPB1 (0.32) CPB1
SCHEMBL19859660 0.83 CPB1 (0.32) CPB1
SCHEMBL19859658 0.83 CPB1 (0.32) CPB1
SCHEMBL22185811 0.79 KDM2B (0.49) KDM2BCPB1CPB2PHF8USP30
SCHEMBL21085843 0.78 HTR6 (0.35) —

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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 — — 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 KDM2B 2055/4885CYP1A2 806/4885CYP2D6 1311/4885

“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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