SCHEMBL7542844

SCHEMBL7542844

CC(C)CC(N)C(=O)NC(COC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
REN P00797 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
LPAR1 Q92633 2/20 0.45
LPAR3 Q9UBY5 2/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7541485 0.86 LTA4H (0.50) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7338616 0.82 IL1RN (0.56) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7544107 0.82 L3MBTL1 (0.49) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7338772 0.82 IL1RN (0.56) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7542714 0.82 LTA4H (0.49) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7547062 0.81 CACNA1B (0.57) IL1RNERAP2ERAP1
SCHEMBL7345226 0.81 IL1RN (0.55) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7338162 0.81 MME (0.56) LTA4HIL1RNERAP2ERAP1REN
SCHEMBL7344077 0.81 PPARG (0.60) LTA4HIL1RNERAP2ERAP1MME
SCHEMBL7339872 0.79 IL1RN (0.55) LTA4HIL1RNERAP2ERAP1REN

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-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 LTA4H 2416/4885IL1RN 415/4885ERAP2 1740/4885

“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.