SCHEMBL5833563

SCHEMBL5833563

CC(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(Cc1cccnc1)NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 3/20 0.47
PSMB8 P28062 3/20 0.47
PSMB9 P28065 3/20 0.47
PSMB5 P28074 3/20 0.47
PSMB10 P40306 2/20 0.47
PSMB2 P49721 2/20 0.47
GPR132 Q9UNW8 4/20 0.47
YAP1 P46937 3/20 0.47
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
REN P00797 3/20 0.44
PSMB11 A5LHX3 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMA1 P25786 1/20 0.43
PSMA2 P25787 1/20 0.43
PSMA3 P25788 1/20 0.43

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
SCHEMBL5833379 0.93 PSMB1 (0.49) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833124 0.87 GPR132 (0.44) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL7372294 0.87 CACNA1B (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833955 0.85 PSMB1 (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833219 0.85 REN (0.52) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833960 0.85 PSMB1 (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5833569 0.85 GPR132 (0.46) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5832910 0.84 GPR132 (0.54) GPR132MMEACECPA1ACE2
SCHEMBL5832913 0.84 GPR132 (0.54) GPR132MMEACECPA1ACE2
SCHEMBL5833543 0.84 GPR132 (0.50) PSMB10GPR132YAP1MMEACE

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 6 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-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 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.