SCHEMBL7041902

SCHEMBL7041902

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCCN(C(=O)[CH]CC(C)C(N)=O)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.56
BTK Q06187 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7041055 0.95 CACNA1B (0.57) CACNA1BLMNASMN1; SMN2ALOX5
SCHEMBL7036883 0.91 CACNA1B (0.60) CACNA1BALOX5
SCHEMBL7043316 0.89 CACNA1B (0.64) CACNA1BBTKLMNASMN1; SMN2ALOX5
SCHEMBL7041891 0.85 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2ALOX5KMT2A
SCHEMBL7038867 0.84 CACNA1B (0.56) CACNA1BLMNASMN1; SMN2ALOX5NPC1
SCHEMBL7043716 0.83 CACNA1B (0.51) CACNA1B
SCHEMBL7356203 0.82 CACNA1B (0.57) CACNA1BLMNASMN1; SMN2ALOX5KMT2A
SCHEMBL7040271 0.82 CACNA1B (0.52) CACNA1BLMNASMN1; SMN2ALOX5KMT2A
SCHEMBL7043585 0.82 CACNA1B (0.50) CACNA1B
SCHEMBL7041905 0.82 CACNA1B (0.65) CACNA1BBTK

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 2/4885BTK 4124/4885LMNA 931/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885BTK 4124/4885LMNA 931/4885

“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.