SCHEMBL682797

SCHEMBL682797

Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)c3ccco3)CC2)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
ADORA2B P29275 6/20 0.49
RXFP1 Q9HBX9 4/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL683960 0.88 ALDH1A1 (0.58) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL4470996 0.85 ALDH1A1 (0.79) ALDH1A1RXFP1TSHRMAPTMAPK1
SCHEMBL684325 0.83 CHRM2 (0.49) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL683617 0.82 CHRM2 (0.51) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL11172872 0.81 ALDH1A1 (0.56) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL683632 0.81 CHRM2 (0.51) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL683633 0.81 CHRM2 (0.51) ALDH1A1CHRM2HTR1ACHRM1DRD2
Flufylline SCHEMBL684324 0.81 HTR2A (0.60) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL684332 0.81 MAPK1 (0.55) CHRM2HTR1ACHRM1DRD2ADRA1D
SCHEMBL683570 0.78 ADORA2B (0.48) ALDH1A1CHRM2HTR1ACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885CHRM2 671/4885HTR1A 1265/4885

“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.