SCHEMBL4415355

SCHEMBL4415355

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
FAAH O00519 6/20 0.50
BCHE P06276 4/20 0.50
GAA P10253 1/20 0.48
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
ESR1 P03372 1/20 0.47
CACNA1G O43497 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4423130 0.93 ACHE (0.57) ACHEFAAHBCHEHTR1AHTR7
SCHEMBL4416213 0.90 ALDH1A1 (0.49) ACHEFAAHBCHEHTR1AHTR7
SCHEMBL4419747 0.89 HTT (0.52) ACHEFAAHBCHEHTR1AHTR7
SCHEMBL4419294 0.88 MAPT (0.57) GAAHTR1AHTR7MAPTALDH1A1
SCHEMBL4419759 0.86 ACHE (0.50) ACHEFAAHBCHEHTR1AHTR7
SCHEMBL4417433 0.81 TSHR (0.52) ACHEFAAHBCHEGAAHTR1A
SCHEMBL4422983 0.81 ESR1 (0.55) ACHEBCHEGAAHTR1AHTR7
SCHEMBL4417118 0.81 ESR1 (0.50) ACHEFAAHBCHEHTR1AHTR7
SCHEMBL4426793 0.79 HTR7 (0.60) HTR1AHTR7ESR1TSHRALDH1A1
SCHEMBL23751018 0.78 SIGMAR1 (0.64) ACHEFAAHBCHECACNA1GMAPT

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 356/4885FAAH 1217/4885BCHE 1235/4885

“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.