SCHEMBL22110286

SCHEMBL22110286

CC(C)N1CCC[C@H]1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.49
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
SLC18A2 Q05940 1/20 0.41
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
LOX P28300 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 1.00 CHRM3 (0.49) CHRM3CTSLCTSBCTSKMAPK1
SCHEMBL22110281 0.87 SLC18A2 (0.43) CHRM3MAPK1SLC18A2POLBCHRNB2
SCHEMBL22110309 0.83 CHRM3 (0.38) CHRM3CTSLCTSBCTSKMAPK1
SCHEMBL14502963 0.81 CHRNB2 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL22110284 0.81 CHRNB2 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13995045 0.80 SLC18A2 (0.50) CHRM3SLC18A2
SCHEMBL2603270 0.80 SLC18A2 (0.50) CHRM3SLC18A2
SCHEMBL2603269 0.79 CHRM3 (0.51) CHRM3CHRNB2CHRNA7CHRNA4
SCHEMBL6166949 0.79 TRPV6 (0.51) CTSLCTSBCTSKTRPV6SLC18A2
SCHEMBL21908568 0.78 TRPV6 (0.50) CHRM3CTSLCTSBCTSKTRPV6

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 CHRM3 4777/4885CTSL 3278/4885CTSB 4229/4885
US-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME DPYD, NUDT1, NUDT5 CHRM3 4716/4885CTSL 3430/4885CTSB 4222/4885

“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.