SCHEMBL4864647

SCHEMBL4864647

COC(=O)[C@]1(C(=N)OCc2ccccc2)CC[C@H](C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
HTR2C P28335 1/20 0.40
CPB1 P15086 1/20 0.40
CYP3A4 P08684 1/20 0.40
FKBP1A P62942 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL6236356 1.00 GAA (0.43) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4867930 0.88 ALDH1A1 (0.40) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6236539 0.88 ALDH1A1 (0.40) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6231440 0.87 ALDH1A1 (0.46) ALDH1A1DDB1CRBN
SCHEMBL4869754 0.86 CYP3A4 (0.42) ALDH1A1SMN1; SMN2TSHRHTR2CCPB1
SCHEMBL6235063 0.85 CTSL (0.46) ALDH1A1FKBP1ADDB1CRBN
SCHEMBL6234929 0.85 CTSL (0.46) ALDH1A1FKBP1ADDB1CRBN
SCHEMBL4867759 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL25317301 0.78 ALDH1A1 (0.51) ALDH1A1DDB1CRBN
SCHEMBL4868091 0.77 CYP3A4 (0.41) ALDH1A1SMN1; SMN2TSHRCYP3A4

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 2 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

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 GAA 1043/4885ALDH1A1 4302/4885NPC1 1328/4885

“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.