SCHEMBL5833167

SCHEMBL5833167

CC(C)CCN(C)C(Cc1cccnc1)C(=O)NC(Cc1ccc(CCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.47
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
LONP1 P36776 7/20 0.42
PSMB5 P28074 7/20 0.42
PSMB11 A5LHX3 6/20 0.42
PSMA7 O14818 6/20 0.42
PSMB1 P20618 6/20 0.42
PSMA1 P25786 6/20 0.42
PSMA2 P25787 6/20 0.42
PSMA3 P25788 6/20 0.42
PSMA4 P25789 6/20 0.42
PSMB8 P28062 6/20 0.42
PSMB9 P28065 6/20 0.42
PSMA5 P28066 6/20 0.42
PSMB4 P28070 6/20 0.42
PSMB6 P28072 6/20 0.42
PSMB10 P40306 6/20 0.42

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
SCHEMBL5833929 0.93 MMP12 (0.44) MMP12CTSLCTSBMMP9MMP8
SCHEMBL5833801 0.92 MMP9 (0.42) MMP12MMP9MMP8LONP1PSMB5
SCHEMBL5833288 0.91 MMP9 (0.44) MMP12CTSLCTSBMMP9MMP8
SCHEMBL5833133 0.90 GPR132 (0.49) CTSLCTSBMMP9MMP8LONP1
SCHEMBL5833182 0.88 ACACB (0.49) CTSLCTSB
SCHEMBL5832975 0.86 MAOB (0.46) CTSLCTSBLONP1PSMB5PSMB11
SCHEMBL5833262 0.85 ACACB (0.48) CTSLCTSB
SCHEMBL5833113 0.85 REN (0.42) PSMB5
SCHEMBL5833850 0.84 CTSL (0.49) MMP12CTSLCTSBMMP9MMP8
SCHEMBL5832749 0.83 GPR132 (0.51) MMP9MMP8LONP1PSMB5PSMB11

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 MMP12 1662/4885CTSL 861/4885CTSB 503/4885

“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.