SCHEMBL5833154

SCHEMBL5833154

CC(C)CCN(C)C(Cc1cscn1)C(=O)NC(Cc1ccc(OCc2ccccn2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
REN P00797 5/20 0.40
CACNA1B Q00975 2/20 0.39
KLKB1 P03952 2/20 0.38
LPAR3 Q9UBY5 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
ACACB O00763 1/20 0.37
ENPP2 Q13822 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL5833073 0.92 MME (0.45) MAOBRENCACNA1BKLKB1MME
SCHEMBL5833814 0.89 MAOB (0.48) MAOBCACNA1BLPAR3MDM4MDM2
SCHEMBL5832984 0.89 ACACB (0.45) KLKB1ACACBGPR132MMEACE
SCHEMBL5832975 0.88 MAOB (0.46) MAOBKLKB1LPAR3MDM4MDM2
SCHEMBL5833113 0.86 REN (0.42) RENCACNA1B
SCHEMBL5833821 0.86 MME (0.46) MAOBRENCACNA1BKLKB1MME
SCHEMBL5833122 0.83 MMP9 (0.45) MAOBRENCACNA1BKLKB1GPR132
SCHEMBL5833557 0.83 REN (0.38) RENCACNA1BKLKB1
SCHEMBL5833093 0.81 MAOB (0.48) MAOBRENCACNA1BGPR132MME
SCHEMBL5833133 0.80 GPR132 (0.49) MAOBRENACACBGPR132MME

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 5 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-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 1738/4885REN 3074/4885CACNA1B 4/4885

“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.