SCHEMBL683984

SCHEMBL683984

COc1ccc(CC(C)NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.63
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.53
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ADORA2B P29275 4/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL684285 0.89 RXFP1 (0.53) RXFP1LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL683921 0.88 RXFP1 (0.68) RXFP1KDM4ETP53LMNASMN1; SMN2
SCHEMBL682774 0.88 LMNA (0.66) RXFP1LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL684300 0.88 ALDH1A1 (0.55) RXFP1TP53LMNASMN1; SMN2MAPK1
Fenethylline SCHEMBL149145 0.87 ALDH1A1 (0.65) RXFP1LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL683922 0.87 CYP1A2 (0.61) RXFP1TP53LMNASMN1; SMN2MAPK1
Fenethylline SCHEMBL155920 0.86 ALDH1A1 (0.64) RXFP1LMNASMN1; SMN2MAPK1ALDH1A1
Fenethylline SCHEMBL121386 0.86 ALDH1A1 (0.64) RXFP1LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL683913 0.85 RXFP1 (0.55) RXFP1KDM4ETP53LMNASMN1; SMN2
SCHEMBL683986 0.84 CYP1A2 (0.51) RXFP1TP53LMNASMN1; SMN2ALDH1A1

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 RXFP1 211/4885KDM4E 2527/4885TP53 4370/4885

“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.