SCHEMBL23008368

SCHEMBL23008368

COC1CCN(c2cc[nH]n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
LRRK2 Q5S007 5/20 0.41
OGA O60502 1/20 0.40
PTGER4 P35408 1/20 0.37
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
AOC3 Q16853 1/20 0.36
ACACB O00763 1/20 0.35
EGFR P00533 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL18593071 0.79 JAK2 (0.35) LRRK2RET
SCHEMBL22446885 0.79 JAK2 (0.35) LRRK2RET
SCHEMBL18592802 0.79 SMPD3 (0.40) LRRK2HRH3EGFR
SCHEMBL28272107 0.79 HTR3E (0.47) HRH3
SCHEMBL21266982 0.78 ACHE (0.38) LRRK2HRH3
SCHEMBL22667055 0.75 CHRM4 (0.52) HRH3RET
SCHEMBL18618276 0.75 JAK2 (0.38) LRRK2
SCHEMBL18593081 0.75 JAK2 (0.38) LRRK2PIK3CAMTORRET
SCHEMBL18593123 0.75 JAK2 (0.38) LRRK2PIK3CAMTORRET
SCHEMBL18612614 0.75 JAK2 (0.38) LRRK2PIK3CAMTORRET

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-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 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-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAP4K4 234/4885LRRK2 269/4885OGA 3386/4885

“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.