SCHEMBL22957883

SCHEMBL22957883

CC(C)(C)NCc1ccccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.62
SLC6A4 P31645 7/20 0.53
SLC6A2 P23975 3/20 0.53
HTR2A P28223 4/20 0.51
HTT P42858 1/20 0.51
HRH1 P35367 1/20 0.50
MAOA P21397 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2D6 P10635 2/20 0.44
FAAH O00519 1/20 0.44
SLC6A3 Q01959 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22957819 0.83 RIPK1 (0.58) RIPK1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL14256506 0.81 HTT (0.50) RIPK1SLC6A4SLC6A2HTR2AHTT
SCHEMBL3134684 0.80 SLC6A4 (0.75) RIPK1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL12201562 0.80 ALDH1A1 (0.59) HTTKDM4EALDH1A1CYP2D6L3MBTL1
SCHEMBL10245660 0.79 HTT (0.57) HTTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1192098 0.78 RIPK1 (0.49) RIPK1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL22957896 0.78 HRH1 (0.56) RIPK1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL22957634 0.78 HTT (0.47) RIPK1SLC6A4HTR2AHTTKDM4E
SCHEMBL14256508 0.78 GAA (0.58) RIPK1SLC6A4HTR2AALDH1A1KMT2A
SCHEMBL6256507 0.77 GAA (0.59) RIPK1SLC6A4SLC6A2HTR2AHRH1

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 RIPK1 1/4885SLC6A4 3049/4885SLC6A2 4399/4885

“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.