SCHEMBL5563145

SCHEMBL5563145

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.43
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MCHR1 Q99705 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL5562887 0.90 HTT (0.43) CACNA1BMAPTHTTADRA1DADRA1A
SCHEMBL5568028 0.87 HTT (0.40) CACNA1BHTTMEN1KMT2AMCHR1
SCHEMBL5568219 0.86 CACNA1B (0.43) CACNA1BMAPTHTTADRA1DADRA1A
SCHEMBL5564795 0.86 HTT (0.41) CACNA1BHTTADRA1DADRA1AADRA1B
SCHEMBL5567824 0.86 HTT (0.39) CACNA1BMAPTHTTRAB9AADRA1D
SCHEMBL5569023 0.85 HTT (0.42) CACNA1BHTTADRA1DADRA1AADRA1B
SCHEMBL5568267 0.85 HTT (0.39) CACNA1BMAPTHTTLMNATP53
SCHEMBL5567175 0.85 HTT (0.40) CACNA1BMAPTHTTADRA1DADRA1A
SCHEMBL5567411 0.85 HTT (0.40) CACNA1BHTTMCHR1LMNATP53
SCHEMBL5563112 0.85 CACNA1F (0.40) CACNA1BMAPTHTTKMT2ATP53

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-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US claimed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US claimed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 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 (1 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S CACNA1B 7/4885MAPT 1236/4885HTT 2627/4885

“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.