SCHEMBL22110281

SCHEMBL22110281

CC(C)N1CCC[C@H]1CCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRM3 P20309 1/20 0.43
LTA4H P09960 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL22110450 0.87 CHRM3 (0.49) SLC18A2MAPK1CHRM3CHRNB2CHRNA5
SCHEMBL22110286 0.87 CHRM3 (0.49) SLC18A2MAPK1CHRM3CHRNB2CHRNA5
SCHEMBL22110310 0.80 ACE2 (0.36) SLC18A2MAPK1LTA4HCHRNB2CHRNA5
SCHEMBL22110352 0.80 KDM4E (0.48) SLC18A2CHRM3LTA4H
SCHEMBL2603270 0.79 SLC18A2 (0.50) SLC18A2CHRM3
SCHEMBL13995045 0.79 SLC18A2 (0.50) SLC18A2CHRM3
SCHEMBL8806151 0.79 ADRA2A (0.52) CHRM3LTA4HCHRNB2CHRNA5CHRNA7
SCHEMBL3987832 0.77 CHRM3 (0.51) CHRM3
SCHEMBL2603288 0.75 SLC18A2 (0.49) SLC18A2
SCHEMBL26724276 0.73 TSHR (0.34) CHRM3

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-11535627-B2 Pyrimidine derivative compound, pharmaceutically acceptable salt thereof, preparation process thereof, and pharmaceutical composition using the same SPARK BIOPHARMA, INC. (KR) 2022-12-27 US disclosed
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 (2 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-11535627-B2 Pyrimidine derivative compound, pharmaceutically acceptable salt thereof, preparation process thereof, and pharmaceutical composition using the same DPYD, TYMP, NUDT1 SLC18A2 1540/4885MAPK1 3446/4885CHRM3 4777/4885
US-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME DPYD, NUDT1, NUDT5 SLC18A2 1464/4885MAPK1 3371/4885CHRM3 4716/4885

“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.