SCHEMBL5833955

SCHEMBL5833955

CC(C)(C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 3/20 0.51
PSMB8 P28062 3/20 0.51
PSMB9 P28065 3/20 0.51
PSMB5 P28074 3/20 0.51
PSMB10 P40306 3/20 0.51
PSMB2 P49721 2/20 0.51
YAP1 P46937 4/20 0.46
REN P00797 5/20 0.44
ACE P12821 3/20 0.44
MME P08473 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
BCL2 P10415 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CACNA1B Q00975 1/20 0.40

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
SCHEMBL5833960 1.00 PSMB1 (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833379 0.88 PSMB1 (0.49) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833219 0.87 REN (0.52) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5832989 0.86 MME (0.49) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5832987 0.86 MME (0.49) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL7682798 0.86 MME (0.49) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833563 0.85 PSMB1 (0.47) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL7372294 0.85 CACNA1B (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833255 0.84 MME (0.48) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833253 0.84 MME (0.48) PSMB1PSMB8PSMB9PSMB5PSMB10

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-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-6989448-B2 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN 2006-01-24 US disclosed
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 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-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers CACNA1C, CACNA1I, CACNA1S PSMB1 440/4885PSMB8 1755/4885PSMB9 1600/4885

“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.