SCHEMBL6901774

SCHEMBL6901774

CCCCCS(=O)(=O)N1[CH]NCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 3/20 0.34
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
FKBP1A P62942 1/20 0.32
CA2 P00918 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
SCHEMBL6897802 0.76 FAAH (0.40) ALDH1A1MAPTFAAHMMP8MMP3
SCHEMBL6901404 0.71 FAAH (0.36) ALDH1A1MAPTFAAHMMP8MMP3
SCHEMBL6897175 0.70 FAAH (0.35) ALDH1A1MAPTFAAHMMP8MMP3
SCHEMBL27460209 0.70 FAAH (0.35) ALDH1A1MAPTFAAHCA2
SCHEMBL3107942 0.69 GNAI3 (0.41) ALDH1A1MAPTFAAH
SCHEMBL6897513 0.69 FAAH (0.34) ALDH1A1MAPTFAAHMMP8MMP3
SCHEMBL6892029 0.69 FAAH (0.34) ALDH1A1MAPTFAAHMMP8MMP3
SCHEMBL25420992 0.68 GNAO1 (0.43) ALDH1A1MAPTFAAHCA2
SCHEMBL25253971 0.68 GNAO1 (0.43) ALDH1A1MAPTFAAHCA2
SCHEMBL25420232 0.68 GNAO1 (0.43) ALDH1A1MAPTFAAHCA2

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-6734311-B2 ANTIINFLAMMATORY AGENTS; ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2004-05-11 US disclosed
US-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2003-05-15 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-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 ALDH1A1 663/4885MAPT 527/4885FAAH 795/4885

“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.