SCHEMBL7120161

SCHEMBL7120161

c1ccc2c(NCCCCNc3nccc4ccccc34)nccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.54
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
HRH4 Q9H3N8 3/20 0.54
KCNH2 Q12809 2/20 0.54
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
UTS2R Q9UKP6 5/20 0.48
FDPS P14324 1/20 0.47
USP30 Q70CQ3 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 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
SCHEMBL11788598 0.91 KDM4E (0.59) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL13827761 0.86 TOP2A (0.56) ADRA1ADRD2DRD3HRH4KDM4E
SCHEMBL6701206 0.86 PRKCH (0.55) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL30223381 0.86 TNF (0.56) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL12963544 0.86 UTS2R (0.56) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL11793280 0.83 GAA (0.46) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL9849502 0.83 GBA1 (0.55) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL15929394 0.83 LMNA (0.53) ADRA1ADRD2DRD3HRH4KCNH2
SCHEMBL9374978 0.83 RAB9A (0.59) UTS2RLMNASMN1; SMN2KDM4EMAPT
Nitric Acid SCHEMBL11791217 0.82 MAPT (0.51) ADRA1ADRD2DRD3HRH4KCNH2

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 ADRA1A 1304/4885DRD2 696/4885DRD3 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.