SCHEMBL7428446

SCHEMBL7428446

CC(C)(C)NC[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
BCL2 P10415 1/20 0.55
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
PTPN1 P18031 2/20 0.53
APP P05067 4/20 0.52
SYK P43405 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
LTA4H P09960 1/20 0.48
PPARA Q07869 1/20 0.47
REN P00797 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
YAP1 P46937 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL7544238 1.00 ATM (0.61) ATMBCL2ITGB3ITGA2BADRB2
SCHEMBL272432 0.91 ATM (0.71) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL272433 0.91 ATM (0.71) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL271237 0.88 ATM (0.67) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL271238 0.88 ATM (0.67) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL5410539 0.88 ATM (0.59) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL272406 0.88 ATM (0.59) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL272806 0.88 ATM (0.59) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL2617274 0.87 ATM (0.58) ATMBCL2ITGB3ITGA2BPTPN1
SCHEMBL12532787 0.87 ATM (0.58) ATMBCL2ITGB3ITGA2BPTPN1

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
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO 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 ATM 4885/4885BCL2 1790/4885ITGB3 4450/4885

“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.