SCHEMBL4419744

SCHEMBL4419744

Cc1cn(CCC(=O)NCCN2CCN(Cc3ccc(Cl)cc3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.52
BCHE P06276 2/20 0.52
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CACNA1G O43497 2/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 1/20 0.45
FAAH O00519 4/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CNR1 P21554 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
SCHEMBL4422243 0.91 MAPK1 (0.47) ACHEBCHETSHRFAAHHTR1A
SCHEMBL4416126 0.91 HTR1A (0.56) ACHEBCHEKMT2ATSHRFAAH
SCHEMBL4423233 0.90 CCR3 (0.51) ACHEBCHESMN1; SMN2CACNA1GFAAH
SCHEMBL4413983 0.89 ACHE (0.58) ACHEBCHEKMT2ASMN1; SMN2DRD4
SCHEMBL4419855 0.85 POLB (0.53) SMN1; SMN2CACNA1GDRD4HTR1AHTR7
SCHEMBL4422240 0.82 LMNA (0.57) KMT2AGAASMN1; SMN2DRD4HTR1A
SCHEMBL4420419 0.80 HSD17B10 (0.50) KMT2AGAASMN1; SMN2TSHRHSD17B10
SCHEMBL4422458 0.79 KMT2A (0.54) ACHEBCHEKMT2AGAASMN1; SMN2
SCHEMBL4417227 0.78 LMNA (0.52) KMT2AGAATSHRDRD4HTR1A
SCHEMBL4420519 0.78 LMNA (0.54) KMT2ASMN1; SMN2KDM4ELMNAHTT

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 356/4885BCHE 1235/4885KMT2A 4575/4885

“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.