SCHEMBL4417940

SCHEMBL4417940

O=C(CCn1ccnc1-c1ccccc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.56
ESR1 P03372 1/20 0.51
FAAH O00519 1/20 0.51
HTR7 P34969 6/20 0.50
SIGMAR1 Q99720 3/20 0.49
HTT P42858 2/20 0.46
HTR1A P08908 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 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
SCHEMBL4426690 0.90 HTR7 (0.56) CACNA1GESR1FAAHHTR7HTR1A
SCHEMBL4426793 0.90 HTR7 (0.60) ESR1HTR7HTTHTR1AMEN1
SCHEMBL4429698 0.87 ESR1 (0.54) ESR1FAAHHTR7
SCHEMBL4419747 0.87 HTT (0.52) CACNA1GESR1FAAHHTR7SIGMAR1
SCHEMBL4419798 0.86 F10 (0.54) CACNA1GFAAHHTR7SIGMAR1MEN1
SCHEMBL4425280 0.80 ESR1 (0.61) ESR1HTR7HTR1AMEN1KMT2A
SCHEMBL4426878 0.80 ESR1 (0.61) ESR1HTR7SIGMAR1HTTHTR1A
SCHEMBL4423239 0.80 CACNA1G (0.57) CACNA1GFAAHHTR7SIGMAR1HTT
SCHEMBL4413975 0.79 ESR1 (0.65) ESR1HTR7HTR1AMEN1KMT2A
SCHEMBL4413950 0.78 HTR7 (0.61) HTR7HTTHTR1AMEN1KMT2A

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 CACNA1G 6/4885ESR1 4432/4885FAAH 1217/4885

“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.