SCHEMBL5833958

SCHEMBL5833958

CN(C1C=CCCC1)C(Cc1ccncc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
YAP1 P46937 3/20 0.42
ACE P12821 2/20 0.41
MME P08473 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PLG P00747 5/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
PLAU P00749 1/20 0.40
MAOB P27338 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
CACNA1B Q00975 1/20 0.39
MDM2 Q00987 1/20 0.38
REN P00797 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL5833129 0.94 GPR132 (0.43) MMP9MMP8YAP1ACEMME
SCHEMBL5833215 0.89 MMP9 (0.42) MMP9MMP8YAP1ACEMME
SCHEMBL5833387 0.87 YAP1 (0.44) MMP9MMP8YAP1ACEMME
SCHEMBL5832979 0.85 YAP1 (0.47) MMP9MMP8YAP1ACEMME
SCHEMBL5832982 0.85 YAP1 (0.47) MMP9MMP8YAP1ACEMME
SCHEMBL5833950 0.84 YAP1 (0.44) MMP9MMP8YAP1ACEMME
SCHEMBL5833211 0.81 ALDH1A1 (0.46) MMP9MMP8ACEMMECPA1
SCHEMBL5833569 0.81 GPR132 (0.46) MMP9MMP8YAP1ACEMME
SCHEMBL5832609 0.81 MAOB (0.49) MMP9MMP8ACEMMECPA1
SCHEMBL5833224 0.80 MAOB (0.45) MMP9MMP8ACEMMECPA1

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 MMP9 1991/4885MMP8 2960/4885YAP1 4661/4885

“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.