SCHEMBL23080426

SCHEMBL23080426

C#CCOCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR3A P46098 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1A O60341 1/20 0.31
TSHR P16473 1/20 0.31
GBA1 P04062 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL28525815 0.98 TDP1 (0.39) TDP1SLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL28932911 0.86 CHRNB2 (0.40) TDP1SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL3530639 0.84
SCHEMBL11326725 0.84 TSHR (0.35) TSHRCHRM2CHRM1CHRM3
SCHEMBL4029641 0.80 CTSL (0.34) TSHRCHRM2CHRM1CHRM3
SCHEMBL3735981 0.80
SCHEMBL11527918 0.79 TSHR (0.34) TSHR
SCHEMBL11330057 0.78 CTSL (0.37) TSHRGBA1
SCHEMBL24764789 0.77 TSHR (0.34) TSHR
SCHEMBL16394631 0.77 TDP1 (0.42) TDP1SLC6A2SLC6A4SLC6A3HTR3A

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-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-06-30 US disclosed
WO-2021043260-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR 湖北生物医药产业技术研究院有限公司 2021-03-11 WO 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-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR TYMP, DPYD, TYMS TDP1 61/4885SLC6A2 524/4885SLC6A4 542/4885

“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.