SCHEMBL7041891

SCHEMBL7041891

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.59
CCR5 P51681 1/20 0.41
ALOX5 P09917 1/20 0.40
PRMT5 O14744 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7036883 0.94 CACNA1B (0.60) CACNA1BCCR5ALOX5PRMT5
SCHEMBL7040271 0.90 CACNA1B (0.52) CACNA1BCCR5ALOX5PRMT5MEN1
SCHEMBL7041055 0.90 CACNA1B (0.57) CACNA1BCCR5ALOX5PRMT5LMNA
SCHEMBL7040137 0.90 CACNA1B (0.57) CACNA1BCCR5ALOX5PRMT5LMNA
SCHEMBL7045046 0.90 CACNA1B (0.57) CACNA1BCCR5ALOX5PRMT5LMNA
SCHEMBL7038867 0.89 CACNA1B (0.56) CACNA1BCCR5ALOX5PRMT5NPC1
SCHEMBL7037779 0.87 CACNA1B (0.52) CACNA1BCCR5ALOX5PRMT5LMNA
SCHEMBL7040119 0.87 CACNA1B (0.69) CACNA1BCCR5ALOX5PRMT5LMNA
SCHEMBL7045450 0.86 CACNA1B (0.50) CACNA1BCCR5ALOX5PRMT5NPC1
SCHEMBL7043716 0.86 CACNA1B (0.51) CACNA1B

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
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO 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

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 2/4885CCR5 1463/4885ALOX5 723/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885CCR5 1463/4885ALOX5 723/4885

“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.