SCHEMBL6792777

SCHEMBL6792777

CC(C)C(O)C(=O)NCC1(C(=O)O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MME P08473 2/20 0.37
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.32

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
SCHEMBL6792780 1.00 CYP2C19 (0.39) CYP2C19SMN1; SMN2MMEMAPK1LTA4H
SCHEMBL6799001 0.84 CYP4F2 (0.43) SMN1; SMN2MMEMAPK1
SCHEMBL6798996 0.84 CYP4F2 (0.43) SMN1; SMN2MMEMAPK1
SCHEMBL8595523 0.81 CYP2C19 (0.41) CYP2C19SMN1; SMN2MMEMAPK1LTA4H
SCHEMBL15592837 0.77 CYP2C19 (0.35) CYP2C19SMN1; SMN2MMEMAPK1
SCHEMBL9543283 0.73 CYP2C19 (0.50) CYP2C19MMEMAPK1
SCHEMBL16058545 0.70 CYP2C19 (0.50) CYP2C19MMELTA4H
SCHEMBL4697171 0.69 CYP2C19 (0.39) CYP2C19MME
SCHEMBL19091308 0.69 CYP2C19 (0.39) CYP2C19MMELTA4H
Bromide SCHEMBL16057408 0.69 CYP2C19 (0.48) CYP2C19MMELTA4H

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-6713476-B2 SUBSTITUTED LACTAM; GAMMA-SECRETASE INHIBITOR; DECREASES PRODUCTION OF BETA-AMYLOID; TREATMENT FOR ALTZHEIMER'S AND DOWN'S SYNDROME DUPONT PHARMACEUTICALS COMPANY 2004-03-30 US disclosed
US-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 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-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production APP, BACE1, APH1A CYP2C19 1748/4885SMN1; SMN2 721/4885MME 269/4885

“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.