SCHEMBL7541485

SCHEMBL7541485

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.47
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
REN P00797 1/20 0.46

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
SCHEMBL7542844 0.86 LTA4H (0.47) LTA4HMMEACECPA1ACE2
SCHEMBL7338162 0.83 MME (0.56) LTA4HMMEACECPA1ACE2
SCHEMBL7544107 0.82 L3MBTL1 (0.49) LTA4HMMEACECPA1ACE2
SCHEMBL7542714 0.82 LTA4H (0.49) LTA4HMMEACECPA1ACE2
SCHEMBL7480901 0.81 CACNA1B (0.58) PTPN1CTSLCTSK
SCHEMBL7345226 0.81 IL1RN (0.55) LTA4HMMEACECPA1ACE2
SCHEMBL7428446 0.81 ATM (0.61) LTA4HADRB2ADRB1ADRB3ITGB3
SCHEMBL7544238 0.81 ATM (0.61) LTA4HADRB2ADRB1ADRB3ITGB3
SCHEMBL7344077 0.81 PPARG (0.60) LTA4HMMEACECPA1ACE2
SCHEMBL7338616 0.80 IL1RN (0.56) LTA4HMMEACECPA1ACE2

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 3 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
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 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 2416/4885ADRB2 1172/4885ADRB1 602/4885

“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.