SCHEMBL683922

SCHEMBL683922

COc1ccc(CC(C)NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
RXFP1 Q9HBX9 2/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
UBE2N P61088 1/20 0.46
ADORA2B P29275 4/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL683986 0.89 CYP1A2 (0.51) CYP1A2CYP3A4ALDH1A1RXFP1TP53
SCHEMBL683984 0.87 RXFP1 (0.63) CYP1A2CYP3A4ALDH1A1RXFP1TP53
SCHEMBL683993 0.86 ALDH1A1 (0.53) CYP1A2CYP3A4ALDH1A1HTTRXFP1
SCHEMBL683921 0.86 RXFP1 (0.68) ALDH1A1HTTRXFP1TP53SMN1; SMN2
SCHEMBL682776 0.84 ADORA2B (0.50) ALDH1A1HTTRXFP1SMN1; SMN2LMNA
SCHEMBL684285 0.84 RXFP1 (0.53) ALDH1A1HTTRXFP1SMN1; SMN2LMNA
SCHEMBL683985 0.83 ALOX15 (0.56) ALDH1A1RXFP1TP53SMN1; SMN2ALOX15
SCHEMBL11535389 0.83 CYP1A2 (0.73) CYP1A2CYP3A4ALDH1A1HTTCYP2C9
SCHEMBL683913 0.83 RXFP1 (0.55) CYP1A2CYP3A4RXFP1TP53SMN1; SMN2
SCHEMBL682774 0.83 LMNA (0.66) ALDH1A1HTTRXFP1SMN1; SMN2LMNA

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
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 CYP1A2 4049/4885CYP3A4 4777/4885ALDH1A1 1565/4885

“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.