SCHEMBL13800331

SCHEMBL13800331

COc1ccc(N(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 5/20 0.45
TGFBR1 P36897 2/20 0.39
ACVR1 Q04771 2/20 0.39
ACVR1B P36896 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1B Q00975 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.36
PDGFRB P09619 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP3K11 Q16584 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35
KDM1A O60341 1/20 0.35

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
Hydrochloric Acid SCHEMBL4127643 0.99 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13800349 0.94 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
Hydrochloric Acid SCHEMBL4108828 0.93 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13800574 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13800366 0.92 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
Hydrochloric Acid SCHEMBL4109536 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13800733 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13813507 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13813594 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1
SCHEMBL13813538 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1ACVR1

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-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 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-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 SLC6A2 4192/4885SLC6A4 3416/4885SLC6A3 3947/4885

“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.