SCHEMBL5840374

SCHEMBL5840374

CCOC(=O)C1CNCC1c1c(C(C)(C)C)n(C(=O)O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 4/20 0.36
CHEK1 O14757 2/20 0.36
CHEK2 O96017 2/20 0.36
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.34
SLC18A2 Q05940 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HTR2C P28335 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
SCHEMBL5840385 1.00 MAPT (0.44) MAPTPKMKDM4ECHEK1CHEK2
SCHEMBL5840247 0.81 USP30 (0.43) SLC6A3SLC18A2ALDH1A1
SCHEMBL26818738 0.73 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT
SCHEMBL7887174 0.73 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT
SCHEMBL3552839 0.73 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL5839304 0.72 MAPT (0.78) MAPTPKMALDH1A1LMNAHTT
SCHEMBL5840377 0.71 L3MBTL1 (0.53) MAPTPKM
SCHEMBL5805919 0.67 CHRM2 (0.44) PKMKDM4E
SCHEMBL31449926 0.67 MAPT (0.52) MAPTPKMKDM4EALDH1A1LMNA
SCHEMBL7214703 0.66 MAPT (0.51) MAPTPKMKDM4EALDH1A1HSD17B10

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-7138423-B2 Diseases mediated by tachykinins and for seritonin reuptake transporter protein as reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists BRISTOL-MEYERS SQUIBB COMPANY 2006-01-26 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-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists TPH1, SLC6A4, HTR1D MAPT 2859/4885PKM 129/4885KDM4E 1558/4885

“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.