SCHEMBL7128752

SCHEMBL7128752

c1ccc2c(c1)-c1cccc3c(NCCCCNc4nccc5ccccc45)nnc-2c13

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
ADRA1A P35348 3/20 0.44
DRD3 P35462 3/20 0.44
HRH4 Q9H3N8 3/20 0.44
KCNH2 Q12809 2/20 0.44
UTS2R Q9UKP6 5/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SOD1 P00441 2/20 0.36
USP30 Q70CQ3 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL7117929 0.81 SYK (0.38) CYP2D6SOD1
SCHEMBL7120161 0.80 ADRA1A (0.54) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL7122983 0.79 AURKA (0.43)
SCHEMBL11788598 0.72 KDM4E (0.59) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL13827761 0.69 TOP2A (0.56) DRD2ADRA1ADRD3HRH4
SCHEMBL30223381 0.69 TNF (0.56) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL6701206 0.69 PRKCH (0.55) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL12963544 0.69 UTS2R (0.56) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL11793280 0.67 GAA (0.46) DRD2ADRA1ADRD3HRH4KCNH2
SCHEMBL15929394 0.67 LMNA (0.53) DRD2ADRA1ADRD3HRH4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 DRD2 696/4885ADRA1A 1304/4885DRD3 1134/4885

“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.