SCHEMBL26027615

SCHEMBL26027615

CC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GRM5 P41594 3/20 0.35
JAK1 P23458 4/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
IDH1 O75874 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SPR P35270 2/20 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
SCHEMBL25628756 0.89 HPGD (0.39) JAK1ALDH1A1KDM4EUSP2GAA
SCHEMBL26027935 0.85 NR1H2 (0.33) NR1H2NR1H3GRM5JAK1HSD11B1
SCHEMBL23972253 0.83 GRM5 (0.39) GRM5JAK1HSD11B1ALDH1A1KDM4E
SCHEMBL25628757 0.75 NAMPT (0.47) GRM5
SCHEMBL18858019 0.75 ESR1 (0.39) JAK1ALDH1A1HRH3
SCHEMBL18211622 0.74 HPGD (0.37) ALDH1A1GAATSHRTDP1
SCHEMBL26602920 0.74 P2RX7 (0.35) NR1H2NR1H3GRM5JAK1HSD11B1
SCHEMBL23973198 0.74 P2RX7 (0.35) NR1H2NR1H3GRM5JAK1HSD11B1
SCHEMBL17660297 0.71 MAPT (0.39) GRM5ALDH1A1GAATSHRHRH3
SCHEMBL104852 0.71 QDPR (0.45) TDP1HRH3

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 3 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-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 NR1H2 2021/4885NR1H3 2230/4885GRM5 306/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 NR1H2 1838/4885NR1H3 1999/4885GRM5 892/4885

“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.