SCHEMBL4426748

SCHEMBL4426748

COc1ccc(CN2CCN(CCNC(=O)CCn3ccnc3C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
FAAH O00519 7/20 0.58
CYP2D6 P10635 1/20 0.51
POLB P06746 3/20 0.49
BCHE P06276 3/20 0.47
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LSS P48449 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 0.89 KMT2A (0.54) ACHEFAAHBCHEDRD4ALDH1A1
SCHEMBL4417664 0.88 MAPK1 (0.47) ACHEFAAHBCHEALDH1A1KMT2A
SCHEMBL4416082 0.85 CCR3 (0.51) ACHEFAAHBCHEALDH1A1MEN1
SCHEMBL4413983 0.80 ACHE (0.58) ACHEFAAHCYP2D6POLBBCHE
SCHEMBL4420407 0.78 ALDH1A1 (0.50) POLBALDH1A1MEN1KMT2A
SCHEMBL4423130 0.77 ACHE (0.57) ACHEFAAHBCHEALDH1A1KMT2A
SCHEMBL4422261 0.77 KMT2A (0.52) ACHEFAAHDRD4ALDH1A1MEN1
SCHEMBL4425649 0.76 LMNA (0.52) CYP2D6POLBDRD4ALDH1A1MEN1
SCHEMBL4426703 0.76 LMNA (0.57) POLBDRD4ALDH1A1KMT2APKM
SCHEMBL4418622 0.75 P2RX7 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2

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 ACHE 356/4885FAAH 1217/4885CYP2D6 3257/4885

“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.