SCHEMBL6043709

SCHEMBL6043709

COCCCC1CCN(C(=O)C[O])CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
AKR1C3 P42330 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
SCHEMBL19001329 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL6043717 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL18997635 0.84 FAAH (0.50) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL19002634 0.84 GNAI3 (0.52) ALDH1A1KDM4EDRD2DRD3ITGB3
SCHEMBL19049361 0.83 KDM4E (0.45) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL19049588 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL21169303 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL19001332 0.81 KDM4E (0.43) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL19049366 0.79 FAAH (0.49) ALDH1A1KDM4ERAB9ADRD2DRD3
SCHEMBL9030108 0.79 NPC1 (0.38) ALDH1A1KDM4ENPC1KMT2ANAMPT

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 ALDH1A1 1039/4885KDM4E 1951/4885RAB9A 2414/4885

“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.