SCHEMBL4419616

SCHEMBL4419616

Cc1cn(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.53
CACNA1B Q00975 3/20 0.53
CACNB1 Q02641 3/20 0.53
CACNA1C Q13936 2/20 0.53
CACNA1H O95180 1/20 0.53
ALDH1A1 P00352 6/20 0.53
USP2 O75604 3/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.50
CACNA1G O43497 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL4417077 0.85 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL4420519 0.83 LMNA (0.54) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4419760 0.82 HTR7 (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4422109 0.81 HTR7 (0.58) ALDH1A1USP2MAPK1KMT2AMEN1
SCHEMBL4422033 0.77 P2RX7 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL4429281 0.74 ALDH1A1 (0.59) ALDH1A1USP2MAPK1KMT2AMEN1
SCHEMBL4417350 0.74 ESR1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL6160941 0.74 CACNA1G (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL4422360 0.73 HTR1A (0.64) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL10076049 0.73 CACNA2D1 (0.72) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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 (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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 CACNA2D1 45/4885CACNA1B 1/4885CACNB1 10/4885

“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.