SCHEMBL4425280

SCHEMBL4425280

CCN1CCN(C(=O)CCn2ccnc2-c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
ALDH1A1 P00352 3/20 0.52
HSD11B1 P28845 1/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR7 P34969 4/20 0.45
HTR1A P08908 2/20 0.45
MDM2 Q00987 1/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PLAA Q9Y263 1/20 0.41

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
SCHEMBL4413975 0.89 ESR1 (0.65) ESR1MEN1LMNARAB9AKMT2A
SCHEMBL4426878 0.88 ESR1 (0.61) ESR1LMNAHTR7HTR1ANCOA3
SCHEMBL4426793 0.87 HTR7 (0.60) ESR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4430531 0.85 ESR1 (0.62) ESR1ALDH1A1MEN1LMNARAB9A
SCHEMBL4426690 0.84 HTR7 (0.56) ESR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4429698 0.83 ESR1 (0.54) ESR1HTR7
SCHEMBL4417350 0.82 ESR1 (0.58) ESR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4419296 0.81 MAPT (0.59) ESR1ALDH1A1MEN1LMNARAB9A
SCHEMBL4417940 0.80 CACNA1G (0.56) ESR1MEN1KMT2AHTR7HTR1A
SCHEMBL4428470 0.80 MAPT (0.58) ESR1ALDH1A1MEN1LMNARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR1 4432/4885ALDH1A1 3972/4885HSD11B1 4379/4885

“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.