SCHEMBL4420407

SCHEMBL4420407

Cc1nccn1CCC(=O)NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
GAA P10253 1/20 0.49
ALPG P10696 1/20 0.49
HTR1A P08908 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 2/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
HTR2A P28223 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4425649 0.90 LMNA (0.52) ALDH1A1TSHRGAAHTR1AMEN1
SCHEMBL4426703 0.89 LMNA (0.57) ALDH1A1TSHRHTR1AKMT2APOLB
SCHEMBL4422983 0.88 ESR1 (0.55) ALDH1A1HSD17B10TSHRALPLALPI
SCHEMBL4423053 0.86 POLB (0.56) ALDH1A1TSHRGAAHTR1AMEN1
SCHEMBL4418622 0.85 P2RX7 (0.67) ALDH1A1MEN1KMT2ADRD3GFER
SCHEMBL4415467 0.82 HTR1A (0.51) ALDH1A1TSHRGAAHTR1AMEN1
SCHEMBL4422476 0.82 HTR7 (0.60) ALDH1A1HSD17B10TSHRGAAHTR1A
SCHEMBL4422261 0.82 KMT2A (0.52) ALDH1A1TSHRHTR1AMEN1KMT2A
SCHEMBL4419294 0.81 MAPT (0.57) ALDH1A1GAAHTR1AMEN1KMT2A
SCHEMBL4422458 0.80 KMT2A (0.54) ALDH1A1HSD17B10TSHRGAAHTR1A

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 ALDH1A1 3972/4885HSD17B10 4273/4885TSHR 3065/4885

“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.