SCHEMBL5833113

SCHEMBL5833113

CC(C)CCN(C)C(Cc1cscn1)C(=O)NC(Cc1ccc(CCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.42
PSMB5 P28074 2/20 0.42
GPR142 Q7Z601 2/20 0.42
CTRL P40313 1/20 0.39
CACNA1B Q00975 1/20 0.39
CAPN1 P07384 1/20 0.39

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
SCHEMBL5833557 0.92 REN (0.38) RENPSMB5GPR142CACNA1B
SCHEMBL5833073 0.91 MME (0.45) RENPSMB5GPR142CACNA1B
SCHEMBL5833154 0.86 MAOB (0.46) RENCACNA1B
SCHEMBL5832984 0.85 ACACB (0.45)
SCHEMBL5833801 0.85 MMP9 (0.42) PSMB5CTRLCACNA1B
SCHEMBL5833167 0.85 MMP12 (0.47) PSMB5
SCHEMBL5833821 0.85 MME (0.46) RENPSMB5GPR142CACNA1B
SCHEMBL5833122 0.82 MMP9 (0.45) RENGPR142CACNA1B
SCHEMBL5833257 0.79 MMP9 (0.44) RENGPR142
SCHEMBL5833929 0.78 MMP12 (0.44) PSMB5CACNA1B

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-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 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 REN 3074/4885PSMB5 430/4885GPR142 490/4885

“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.