SCHEMBL4420519

SCHEMBL4420519

Cc1cn(CCC(=O)NCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
GFER P55789 1/20 0.45
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 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
SCHEMBL4416054 0.87 LMNA (0.53) LMNACA1CA2CA7CA9
SCHEMBL4420419 0.85 HSD17B10 (0.50) LMNACA1CA2CA7CA9
SCHEMBL4416126 0.85 HTR1A (0.56) LMNACA1CA2CA7CA9
SCHEMBL4419616 0.83 CACNA2D1 (0.53) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL4418622 0.80 P2RX7 (0.67) LMNACA1CA2CA7CA9
SCHEMBL4420491 0.79 POLB (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4419744 0.78 ACHE (0.52) LMNAKDM4ESMN1; SMN2KMT2AHTT
SCHEMBL4422243 0.77 MAPK1 (0.47) LMNAHTT
SCHEMBL4417227 0.77 LMNA (0.52) LMNACA1CA2CA7CA9
SCHEMBL4422240 0.77 LMNA (0.57) LMNAALDH1A1SMN1; SMN2KMT2AMEN1

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 LMNA 936/4885CA1 1056/4885CA2 121/4885

“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.