SCHEMBL14213465

SCHEMBL14213465

CC(C)N1C[C@H](c2ccccc2)[C@@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
SLC18A3 Q16572 1/20 0.47
KDM1A O60341 3/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.42
KIF11 P52732 1/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA7 P36544 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL14213482 1.00 HRH3 (0.48) HRH3SLC18A3KDM1AHTTKCNH2
SCHEMBL10057687 0.86 SLC18A3 (0.57) HRH3SLC18A3KDM1AHTTKCNH2
SCHEMBL8025619 0.86 KDM1A (0.51) HRH3KDM1AKCNH2KIF11SLC6A3
SCHEMBL8037056 0.86 KDM1A (0.51) HRH3KDM1AKCNH2KIF11SLC6A3
SCHEMBL14213478 0.79 HRH3 (0.49) HRH3KDM1AKCNH2KIF11SLC6A3
SCHEMBL17086699 0.79 HRH3 (0.49) HRH3KDM1AKCNH2KIF11SLC6A3
SCHEMBL18022013 0.79 MAOB (0.52) HRH3KDM1AKCNH2KIF11MAPT
SCHEMBL22962229 0.79 MAOB (0.52) HRH3KDM1AKCNH2KIF11MAPT
SCHEMBL21787710 0.79 HRH3 (0.49) HRH3KDM1AKCNH2KIF11SLC6A3
SCHEMBL14627075 0.79 HRH3 (0.49) HRH3KDM1AKCNH2KIF11SLC6A3

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 HRH3 1736/4885SLC18A3 4859/4885KDM1A 189/4885

“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.