Sugi Predict

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SCHEMBL5833486

SCHEMBL5833486

CC(C)CCNC(Cc1ccncc1)C(=O)NC(Cc1ccc(OCc2ccccn2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.44
▸ LPAR3 Q9UBY5 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ CACNA1B Q00975 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ REN P00797 2/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ PSMB5 P28074 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
SCHEMBL5832730 0.92 GPR132 (0.43) MAOBLPAR3GPR132RENMME
SCHEMBL5833138 0.91 MME (0.50) MAOBGPR132CACNA1BRENMME
SCHEMBL5833134 0.91 MME (0.50) MAOBGPR132CACNA1BRENMME
SCHEMBL5832907 0.87 ACACB (0.49) GPR132RENMMEACECPA1
SCHEMBL5833007 0.86 IL1RN (0.46) GPR132RENMMEACECPA1
SCHEMBL5833814 0.85 MAOB (0.48) MAOBLPAR3GPR132CACNA1BL3MBTL1
SCHEMBL5833543 0.83 GPR132 (0.50) GPR132RENMMEACECPA1
SCHEMBL5833547 0.83 GPR132 (0.50) GPR132RENMMEACECPA1
SCHEMBL5833526 0.83 MMP9 (0.44) CACNA1BPSMB5CTSL
SCHEMBL5833528 0.83 ACACB (0.50) GPR132RENMMEACECPA1

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 MAOB 1738/4885LPAR3 198/4885GPR132 192/4885

“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.