SCHEMBL22110310

SCHEMBL22110310

C=C(C)C(C)CCC(C)N1CCC[C@H]1CCOCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA5 P30532 1/20 0.35
AGTR2 P50052 1/20 0.35
POLB P06746 1/20 0.35
SLC18A2 Q05940 1/20 0.34
LTA4H P09960 1/20 0.34
TEAD3 Q99594 2/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.34
GBA1 P04062 1/20 0.33
UGCG Q16739 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL22110281 0.80 SLC18A2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL22110352 0.70 KDM4E (0.48) SLC18A2LTA4H
SCHEMBL22110450 0.69 CHRM3 (0.49) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL8806151 0.69 ADRA2A (0.52) CHRNB2CHRNA7CHRNA4CHRNA5LTA4H
SCHEMBL22110286 0.69 CHRM3 (0.49) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL23073695 0.65 TSHR (0.47)
SCHEMBL14509642 0.65 LTA4H (0.45) LTA4HTEAD3GBA1UGCGGBA2
SCHEMBL6166949 0.63 TRPV6 (0.51) SLC18A2
SCHEMBL4197627 0.63 SLC6A2 (0.40) AGTR2POLBLTA4HTEAD3
SCHEMBL15341688 0.63 TSHR (0.44) AGTR2LTA4HGBA1UGCGGBA2

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-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME SPARK BIOPHARM, INC. (KR) 2020-06-18 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-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME DPYD, NUDT1, NUDT5 ACE2 430/4885CHRNB2 4778/4885CHRNA7 4587/4885

“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.