SCHEMBL7544099

SCHEMBL7544099

CCN(CC)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.46
CYP3A4 P08684 4/20 0.46
MAOB P27338 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
LTA4H P09960 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 2/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL7344073 0.83 PPARG (0.62) PPARGMAOBMMEACECPA1
SCHEMBL7542839 0.83 PPARG (0.46) PPARGMAOBMMEACECPA1
SCHEMBL7541479 0.83 ADRB2 (0.47) PPARGMAOBMMEACECPA1
SCHEMBL25264886 0.80 L3MBTL1 (0.50) L3MBTL1PPARGCYP3A4MAOBMME
SCHEMBL7547521 0.80 KMT2A (0.48) L3MBTL1PPARGSMN1; SMN2
SCHEMBL7346125 0.80 MME (0.52) PPARGMMEACECPA1ACE2
SCHEMBL7345222 0.80 PPARG (0.51) PPARGCYP3A4MMEACECPA1
SCHEMBL7336728 0.79 PPARG (0.49) PPARGMAOBMMEACECPA1
SCHEMBL7335834 0.79 MME (0.50) PPARGCYP3A4MMEACECPA1
SCHEMBL7345736 0.79 REN (0.51) L3MBTL1PPARGMMEACECPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US claimed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US claimed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 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-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B L3MBTL1 724/4885PPARG 4719/4885CYP3A4 3322/4885

“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.