SCHEMBL3783032

SCHEMBL3783032

COC(=O)c1ccc2c3ccccc3n(C3CCN(C)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KIF11 P52732 1/20 0.43
HSD11B1 P28845 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
WDR5 P61964 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
PARP1 P09874 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 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
SCHEMBL13011491 0.93 SCARB1 (0.45) SCARB1ADRA1DADRA1AADRA1BKIF11
SCHEMBL13011492 0.93 SCARB1 (0.45) SCARB1ADRA1DADRA1AADRA1BKIF11
SCHEMBL13635683 0.93 SCARB1 (0.45) SCARB1ADRA1DADRA1AADRA1BKIF11
SCHEMBL3774230 0.88 HSD11B1 (0.44) SCARB1ADRA1DADRA1AADRA1BKIF11
SCHEMBL3780734 0.88 HSD11B1 (0.44) SCARB1KIF11HSD11B1OPRM1OPRD1
SCHEMBL3805093 0.88 ALDH1A1 (0.43) SCARB1ADRA1DADRA1AADRA1BKIF11
SCHEMBL13635205 0.88 ALDH1A1 (0.51) SCARB1KIF11OPRM1OPRD1OPRK1
SCHEMBL13011205 0.88 ALDH1A1 (0.51) SCARB1KIF11OPRM1OPRD1OPRK1
SCHEMBL13011202 0.88 ALDH1A1 (0.51) SCARB1KIF11OPRM1OPRD1OPRK1
SCHEMBL3775032 0.87 NPC1 (0.51) CNR2MEN1KMT2AALDH1A1FGFR1

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
CN-101627013-A Acylguanidine derivative ASTELLAS PHARMA INC 2010-01-13 CN disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E SCARB1 1612/4885ADRA1D 307/4885ADRA1A 380/4885

“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.