SCHEMBL4422983

SCHEMBL4422983

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTR1A P08908 4/20 0.48
DRD3 P35462 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2A P28223 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
GAA P10253 1/20 0.47
ALPG P10696 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 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
SCHEMBL4415467 0.93 HTR1A (0.51) ESR1ALDH1A1TSHRHTR1AHTR2A
SCHEMBL4419294 0.92 MAPT (0.57) ALDH1A1HTR1AHTR2AGAAHTR7
SCHEMBL4422261 0.91 KMT2A (0.52) ALDH1A1TSHRHTR1AHTR2ADRD2
SCHEMBL4420407 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHTR1ADRD3HSD17B10
SCHEMBL4423130 0.88 ACHE (0.57) ESR1ALDH1A1TSHRHTR1AHTR7
SCHEMBL4416029 0.87 POLB (0.54) ESR1ALDH1A1TSHRHTR1ADRD3
SCHEMBL4416936 0.86 MAPT (0.59) HTR2AGAAHTR7KMT2AMEN1
SCHEMBL4420507 0.85 HTR7 (0.51) ESR1ALDH1A1HTR2AGAAHTR7
SCHEMBL4419759 0.83 ACHE (0.50) ESR1ALDH1A1TSHRHTR1AHTR7
SCHEMBL4417118 0.83 ESR1 (0.50) ESR1ALDH1A1TSHRHTR1AHTR7

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 ESR1 4432/4885ALDH1A1 3972/4885TSHR 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.