SCHEMBL683960

SCHEMBL683960

Cn1c(=O)c2c(ncn2CC(O)CN2CCC(C(=O)c3ccco3)CC2)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
RXFP1 Q9HBX9 7/20 0.49
GAA P10253 1/20 0.47
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ADORA2B P29275 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL682797 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
SCHEMBL683586 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
SCHEMBL683965 0.82 LMNA (0.58) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
SCHEMBL683624 0.82 RXFP1 (0.58) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
Water SCHEMBL10753533 0.82 RXFP1 (0.58) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL684000 0.79 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
SCHEMBL11123833 0.76 LMNA (0.75) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1
SCHEMBL10775620 0.76 ALDH1A1 (0.73) ALDH1A1RXFP1GAA
SCHEMBL4470996 0.75 ALDH1A1 (0.79) ALDH1A1RXFP1GAA
SCHEMBL10569485 0.75 LMNA (0.67) ALDH1A1SMN1; SMN2LMNAPOLBRXFP1

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 1565/4885SMN1; SMN2 907/4885LMNA 2155/4885

“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.