SCHEMBL7040271

SCHEMBL7040271

CCCCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.52
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PRMT5 O14744 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL7045046 0.92 CACNA1B (0.57) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5
SCHEMBL7036883 0.91 CACNA1B (0.60) CACNA1BPRMT5ALOX5CCR5
SCHEMBL7041891 0.90 CACNA1B (0.59) CACNA1BLMNAPRMT5MEN1KMT2A
SCHEMBL7040137 0.90 CACNA1B (0.57) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5
SCHEMBL7038867 0.89 CACNA1B (0.56) CACNA1BLMNAPRMT5NPC1RAB9A
SCHEMBL7037779 0.89 CACNA1B (0.52) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5
SCHEMBL7040119 0.87 CACNA1B (0.69) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5
SCHEMBL7041055 0.87 CACNA1B (0.57) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5
SCHEMBL7045450 0.86 CACNA1B (0.50) CACNA1BLMNAPRMT5NPC1RAB9A
SCHEMBL7038957 0.86 CACNA1B (0.51) CACNA1BLMNAPRMT5SMN1; SMN2ALOX5

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-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

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 CACNA1B 2/4885LMNA 931/4885KDM4E 2990/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885LMNA 931/4885KDM4E 2990/4885

“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.