SCHEMBL7041883

SCHEMBL7041883

CC(C)CCN(CCC(C)C)C(CC(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 1/20 0.41
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
CPA1 P15085 2/20 0.37
ALDH1A1 P00352 3/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 1/20 0.35
FOLH1 Q04609 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7041880 1.00 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL7374842 0.90 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL7041770 0.82 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL7041775 0.82 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL7144630 0.79 PIK3CD (0.38) SLC1A3SLC1A2RNPEPSLC7A5CPA1
SCHEMBL23205735 0.78 RNPEP (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL7369164 0.78 RNPEP (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL3965956 0.78 RNPEP (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL29588600 0.77 NOD1 (0.45) SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL16087980 0.77 TDP1 (0.50) SLC1A3SLC1A2RNPEPSLC7A5CPA1

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-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US claimed
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 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 (2 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G SLC1A3 505/4885SLC1A2 247/4885SLC1A1 291/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G SLC1A3 505/4885SLC1A2 247/4885SLC1A1 291/4885

“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.