SCHEMBL5834003

SCHEMBL5834003

CN(CCC(C)(C)C)C(Cc1cccnc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 5/20 0.50
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
ACACB O00763 1/20 0.45
PLG P00747 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
PPARG P37231 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MAOB P27338 1/20 0.40
KLKB1 P03952 2/20 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
SCHEMBL5832618 0.93 MAOB (0.46) GPR132MMP9MMP8MMEACE
SCHEMBL5833133 0.91 GPR132 (0.49) GPR132MMP9MMP8ACACBPLG
SCHEMBL5832749 0.90 GPR132 (0.51) GPR132MMP9MMP8ACACBPLG
SCHEMBL5833373 0.88 GPR132 (0.49) GPR132MMP9MMP8ACACBPLG
SCHEMBL5833182 0.88 ACACB (0.49) GPR132ACACBPLGMMEACE
SCHEMBL5833078 0.88 GPR132 (0.49) GPR132MMP9MMP8ACACBPLG
SCHEMBL5833122 0.87 MMP9 (0.45) GPR132MMP9MMP8MMEACE
SCHEMBL8187654 0.86 MME (0.49) MMP9MMP8MMEACECPA1
SCHEMBL5833262 0.85 ACACB (0.48) GPR132ACACBPLGMMEACE
SCHEMBL7409195 0.84 GPR132 (0.48) GPR132MMP9MMP8ACACBPLG

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 GPR132 192/4885MMP9 1991/4885MMP8 2960/4885

“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.