SCHEMBL4416082

SCHEMBL4416082

Cc1nccn1CCC(=O)NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CACNA1G O43497 3/20 0.46
F10 P00742 1/20 0.45
KMT2A Q03164 3/20 0.44
FAAH O00519 2/20 0.44
WDR5 P61964 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4422458 0.90 KMT2A (0.54) HTTALDH1A1CACNA1GF10KMT2A
SCHEMBL4417664 0.87 MAPK1 (0.47) HTTALDH1A1KMT2AFAAHBCHE
SCHEMBL4419747 0.87 HTT (0.52) CCR3SIGMAR1HTTALDH1A1CACNA1G
SCHEMBL4419798 0.86 F10 (0.54) SIGMAR1ALDH1A1CACNA1GF10KMT2A
SCHEMBL4426748 0.85 ACHE (0.58) ALDH1A1KMT2AFAAHBCHEACHE
SCHEMBL4423233 0.81 CCR3 (0.51) CCR3SIGMAR1HTTALDH1A1CACNA1G
SCHEMBL4426703 0.79 LMNA (0.57) HTTALDH1A1KMT2AUSP2LMNA
SCHEMBL4420407 0.77 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRMEN1
SCHEMBL4423130 0.76 ACHE (0.57) HTTALDH1A1KMT2AFAAHBCHE
SCHEMBL4415355 0.76 ACHE (0.50) SIGMAR1HTTALDH1A1CACNA1GFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
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 CCR3 4196/4885SIGMAR1 1748/4885HTT 2680/4885

“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.