SCHEMBL5833262

SCHEMBL5833262

CC(C)CCN(C)C(Cc1ccncc1)C(=O)NC(Cc1ccc(OCc2cccnc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.48
GPR132 Q9UNW8 9/20 0.47
PLG P00747 2/20 0.45
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CMKLR2 P46091 1/20 0.40
CMKLR1 Q99788 1/20 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

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
SCHEMBL5833182 0.97 ACACB (0.49) ACACBGPR132PLGKDM4ECTSL
SCHEMBL5833133 0.94 GPR132 (0.49) ACACBGPR132PLGMAOBCTSL
SCHEMBL5833093 0.93 MAOB (0.48) GPR132PLGMAOBCTSLMME
SCHEMBL5832984 0.90 ACACB (0.45) ACACBGPR132PLGKDM4ECTSL
SCHEMBL5832975 0.89 MAOB (0.46) ACACBGPR132PLGMAOBKDM4E
SCHEMBL5833814 0.88 MAOB (0.48) ACACBGPR132MAOBMMEACE
SCHEMBL5832749 0.87 GPR132 (0.51) ACACBGPR132PLGMAOBCMKLR2
SCHEMBL5832609 0.86 MAOB (0.49) GPR132PLGMAOBCTSLMME
SCHEMBL5832907 0.85 ACACB (0.49) ACACBGPR132PLGKDM4ECTSL
SCHEMBL5833167 0.85 MMP12 (0.47) CTSLCTSB

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 7 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 claimed
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 ACACB 1323/4885GPR132 192/4885PLG 1256/4885

“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.