SCHEMBL7428800

SCHEMBL7428800

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.56
CTSS P25774 5/20 0.56
CTSL P07711 2/20 0.51
CTSK P43235 2/20 0.51
TACR2 P21452 3/20 0.48
PSMB11 A5LHX3 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMA5 P28066 1/20 0.47
PSMB4 P28070 1/20 0.47
PSMB6 P28072 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB10 P40306 1/20 0.47
PSMB3 P49720 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
SCHEMBL7345737 0.87 CACNA1B (0.62) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7339817 0.87 CACNA1B (0.62) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7345251 0.87 TACR2 (0.60) CACNA1BCTSSTACR2PSMB11PSMA7
SCHEMBL7547524 0.86 GAA (0.52) CTSSCTSLCTSKTACR2
SCHEMBL7343211 0.84 CACNA1B (0.59) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7480901 0.84 CACNA1B (0.58) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7963499 0.84 CACNA1B (0.61) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7547062 0.84 CACNA1B (0.57) CACNA1BCTSSCTSLCTSKPSMB11
SCHEMBL7342593 0.83 TACR2 (0.58) CACNA1BCTSSTACR2PSMB11PSMA7
SCHEMBL7543753 0.83 GAA (0.49) CTSSCTSLCTSKTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO 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
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 CACNA1B 3/4885CTSS 2158/4885CTSL 1670/4885

“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.