SCHEMBL21711086

SCHEMBL21711086

CCCC(C)c1cc(C)nc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL19479982 0.84 ALDH1A1 (0.32) MAPTALDH1A1KDM4EHTTSLC6A3
SCHEMBL25898714 0.77 GPR84 (0.32) MAPTTSHR
SCHEMBL21509731 0.76 GPR84 (0.33) MAPT
SCHEMBL799308 0.74 NOS3 (0.45) TSHRALDH1A1KDM4ESLC6A3
SCHEMBL25898725 0.74 GPR84 (0.36) MAPTALDH1A1KDM4EHTT
SCHEMBL21711173 0.74 TSHR (0.34) TSHR
SCHEMBL21936157 0.73 NOS3 (0.38) TSHR
SCHEMBL25610962 0.73 — —
SCHEMBL21509894 0.73 GPR84 (0.38) MAPTALDH1A1KDM4EHTT
SCHEMBL23625495 0.71 POLB (0.31) ALDH1A1HTTSLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-08 — — US disclosed
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2022-12-29 — — US disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 — — 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 (3 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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MAPT 7/4885TSHR 4632/4885ALDH1A1 3839/4885
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 931/4885TSHR 1662/4885ALDH1A1 4643/4885
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 MAPT 333/4885TSHR 1017/4885ALDH1A1 3621/4885

“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.

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