SCHEMBL684375

SCHEMBL684375

COc1ccc(N2CCN(Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.53
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.47

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
SCHEMBL683668 0.91 ADORA2B (0.49) ADORA2BHTR2A
SCHEMBL684068 0.89 ADORA2B (0.50) ADORA2BMAPK1HTR2A
SCHEMBL682830 0.88 ADORA2B (0.50) ADORA2BLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL684023 0.87 HTR2A (0.58) ADORA2BLMNAHSD17B10ALDH1A1TSHR
SCHEMBL683665 0.83 ADORA2B (0.47) ADORA2BLMNATSHRNPSR1SMN1; SMN2
SCHEMBL683653 0.82 ADRA1D (0.52) ADORA2BLMNATSHRNPSR1SMN1; SMN2
SCHEMBL683604 0.82 RXFP1 (0.62) LMNACYP2C9HSD17B10ALDH1A1ALOX15
SCHEMBL684377 0.82 MAPK1 (0.47) ADORA2BALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL683692 0.82 L3MBTL1 (0.56) ADORA2BALDH1A1SMN1; SMN2MAPTHTR2A
SCHEMBL684026 0.80 MAPK1 (0.49) ADORA2BLMNAHSD17B10ALDH1A1ALOX15

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 ADORA2B 786/4885LMNA 2155/4885CYP2C9 4715/4885

“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.