SCHEMBL5833946

SCHEMBL5833946

CC(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(N)Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
PPARG P37231 4/20 0.49
LTA4H P09960 2/20 0.49
GPR132 Q9UNW8 1/20 0.48
LNPEP Q9UIQ6 4/20 0.47
ERAP2 Q6P179 1/20 0.47
PLG P00747 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB10 P40306 1/20 0.46
PSMB2 P49721 1/20 0.46
LAP3 P28838 1/20 0.46
BCL2 P10415 1/20 0.46

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
SCHEMBL5833943 1.00 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL5832910 0.92 GPR132 (0.54) MMEACECPA1ACE2MMP9
SCHEMBL5832913 0.92 GPR132 (0.54) MMEACECPA1ACE2MMP9
SCHEMBL7339406 0.91 LNPEP (0.55) MMEACECPA1ACE2MMP9
SCHEMBL5833007 0.91 IL1RN (0.46) MMEACECPA1ACE2MMP9
SCHEMBL7341066 0.89 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL5833941 0.87 BCL2 (0.60) PSMB1PSMB9PSMB5PSMB10PSMB2
SCHEMBL7338162 0.86 MME (0.56) MMEACECPA1ACE2MMP9
SCHEMBL5832735 0.85 LTA4H (0.61) MMEACECPA1ACE2PPARG
SCHEMBL2860639 0.85 LTA4H (0.61) MMEACECPA1ACE2PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MME 2301/4885ACE 2025/4885CPA1 286/4885

“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.