SCHEMBL4864657

SCHEMBL4864657

COC(=O)C1(C=NOCc2ccccc2)CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NAMPT P43490 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ADAM17 P78536 2/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4864653 1.00 METAP2 (0.39) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4866445 1.00 METAP2 (0.39) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4863343 0.89 ALDH1A1 (0.40) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4863333 0.89 ALDH1A1 (0.40) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4863329 0.89 ALDH1A1 (0.40) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4866100 0.89 ALDH1A1 (0.40) METAP2GAAALDH1A1CYP2C19NPC1
SCHEMBL4867947 0.88 METAP2 (0.38) METAP2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL4867943 0.88 METAP2 (0.38) METAP2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL4867956 0.88 METAP2 (0.38) METAP2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL4864631 0.88 LMNA (0.40) METAP2ALDH1A1NAMPTLMNAPKM

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-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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 (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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 METAP2 757/4885GAA 1043/4885ALDH1A1 4302/4885

“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.