SCHEMBL4418622

SCHEMBL4418622

Cc1nccn1CCC(=O)NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.67
LMNA P02545 1/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX5 P09917 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 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
SCHEMBL4420407 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTGFER
SCHEMBL4422033 0.83 P2RX7 (0.65) P2RX7LMNAALDH1A1KDM4EKMT2A
SCHEMBL4420519 0.80 LMNA (0.54) LMNACA1CA2CA7CA9
SCHEMBL4423053 0.79 POLB (0.56) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4422458 0.78 KMT2A (0.54) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4425649 0.77 LMNA (0.52) LMNACA1CA2CA7CA9
SCHEMBL4417664 0.77 MAPK1 (0.47) LMNAALDH1A1KMT2A
SCHEMBL4426703 0.77 LMNA (0.57) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL4426748 0.75 ACHE (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4416054 0.75 LMNA (0.53) LMNACA1CA2CA7CA9

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 P2RX7 262/4885LMNA 936/4885CA1 1056/4885

“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.