SCHEMBL23973198

SCHEMBL23973198

CC1(C)OB(C2=CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
GRM5 P41594 3/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
JAK1 P23458 5/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
JAK3 P52333 1/20 0.31
HSD11B1 P28845 1/20 0.31
RORC P51449 1/20 0.31
SPR P35270 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL26602920 1.00 P2RX7 (0.35) P2RX7GRM5MAPK1ALDH1A1JAK1
SCHEMBL15823976 0.91 P2RX7 (0.42) P2RX7MAPK1ALDH1A1JAK1JAK2
SCHEMBL17495411 0.86 P2RX7 (0.43) P2RX7MAPK1ALDH1A1TSHRHSD11B1
SCHEMBL31645782 0.82 JAK1 (0.38) P2RX7MAPK1ALDH1A1JAK1GAA
SCHEMBL3555979 0.78 P2RX7 (0.42) P2RX7MAPK1JAK1
SCHEMBL18136665 0.78 P2RX7 (0.37) P2RX7MAPK1ALDH1A1
SCHEMBL23972253 0.77 GRM5 (0.39) GRM5ALDH1A1JAK1JAK2TYK2
SCHEMBL378063 0.75 P2RX7 (0.46) P2RX7MAPK1
SCHEMBL2491645 0.75 P2RX7 (0.46) P2RX7MAPK1ALDH1A1
SCHEMBL19015869 0.74 P2RX7 (0.43) P2RX7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 P2RX7 30/4885GRM5 306/4885MAPK1 1813/4885

“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.