Sugi Predict

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SCHEMBL5832902

SCHEMBL5832902

CC(C)CCNC(Cc1cscn1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ REN P00797 5/20 0.45
▸ GPR142 Q7Z601 2/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ YAP1 P46937 1/20 0.42
▸ CACNA1B Q00975 2/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ KLKB1 P03952 2/20 0.42
▸ BCL2 P10415 1/20 0.41
▸ PSMB10 P40306 1/20 0.40

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
SCHEMBL5832898 1.00 MME (0.46) MMEACECPA1ACE2REN
SCHEMBL5833134 0.87 MME (0.50) MMEACECPA1ACE2REN
SCHEMBL5833138 0.87 MME (0.50) MMEACECPA1ACE2REN
SCHEMBL7440228 0.86 MME (0.53) MMEACECPA1ACE2REN
SCHEMBL7440242 0.86 MME (0.53) MMEACECPA1ACE2REN
SCHEMBL5833073 0.86 MME (0.45) MMEACECPA1ACE2REN
SCHEMBL7408594 0.86 REN (0.56) MMEACECPA1ACE2REN
SCHEMBL5833821 0.86 MME (0.46) MMEACECPA1ACE2REN
Hydrochloric Acid SCHEMBL7445392 0.85 MME (0.53) MMEACECPA1ACE2REN
Hydrochloric Acid SCHEMBL7894690 0.85 MME (0.53) MMEACECPA1ACE2REN

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 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.