SCHEMBL65656

SCHEMBL65656

CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CPA1 P15085 1/20 0.31
CAPN1 P07384 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7371351 1.00 AAK1 (0.39) AAK1CTSLCTSBCTSSCTSK
SCHEMBL31387525 0.85 AAK1 (0.36) AAK1CTSLCTSBCTSSCTSK
SCHEMBL8276956 0.85 MEN1 (0.33) CTSSCTSKMEN1KMT2AGAA
SCHEMBL15413915 0.85 MEN1 (0.33) CTSSCTSKMEN1KMT2AGAA
SCHEMBL27244779 0.84 AAK1 (0.40) AAK1CTSLCTSBCTSSCTSK
SCHEMBL27244783 0.84 AAK1 (0.40) AAK1CTSLCTSBCTSSCTSK
SCHEMBL15251813 0.84 AAK1 (0.37) AAK1CTSLCTSBCTSSCTSK
SCHEMBL15251804 0.84 AAK1 (0.37) AAK1CTSLCTSBCTSSCTSK
SCHEMBL15251805 0.84 AAK1 (0.37) AAK1CTSLCTSBCTSSCTSK
SCHEMBL31484511 0.83 MEN1 (0.33) MEN1KMT2AGAAHDAC1HDAC2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612156-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
US-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 US disclosed
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
US-8247442-B2 Benzenesulfonamide compounds and their use PURDUE PHARMA L.P. (US) 2012-08-21 US disclosed
US-8247442-B2 Benzenesulfonamide compounds and their use PURDUE PHARMA L.P. (US) 2012-08-21 US disclosed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US disclosed
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO 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 (4 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S AAK1 1519/4885CTSL 1186/4885CTSB 1411/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S AAK1 1519/4885CTSL 1186/4885CTSB 1411/4885
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use CACNA1E, CACNA1A, KCNN3 AAK1 1714/4885CTSL 1170/4885CTSB 1123/4885
US-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 AAK1 3988/4885CTSL 1088/4885CTSB 829/4885

“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.