SCHEMBL23977890

SCHEMBL23977890

Cc1ccc(C)c(OCC(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
SSTR4 P31391 1/20 0.43
NUDT1 P36639 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PTGS2 P35354 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C9 P11712 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
SCHEMBL21756757 0.82 ALDH1A1 (0.42) CNR2NUDT1MEN1KMT2AL3MBTL1
SCHEMBL25510504 0.80 CYP2C19 (0.36) CNR2MEN1KMT2AL3MBTL1LMNA
Hydrochloric Acid SCHEMBL29072765 0.78 CNR2 (0.48) CNR2SSTR4NUDT1MEN1KMT2A
Hydrochloric Acid SCHEMBL30117102 0.78 CNR2 (0.45) CNR2NUDT1MEN1KMT2AL3MBTL1
SCHEMBL14152072 0.77 CNR2 (0.63) CNR2MEN1KMT2AL3MBTL1LMNA
SCHEMBL20057276 0.77 SSTR4 (0.52) CNR2SSTR4
SCHEMBL15350504 0.77 L3MBTL1 (0.43) CNR2MEN1KMT2AL3MBTL1LMNA
SCHEMBL17707924 0.76 GRM5 (0.42) SSTR4MEN1KMT2AL3MBTL1LMNA
SCHEMBL4826271 0.76 S1PR4 (0.42) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL17433349 0.76 SSTR4 (0.36) SSTR4KMT2AALDH1A1MBOAT4MAPT

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-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 CNR2 1402/4885SSTR4 763/4885NUDT1 2301/4885

“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.