SCHEMBL23977885

SCHEMBL23977885

Cc1cccc(O[C@H](CN(C)C)C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
HTR7 P34969 2/20 0.31
CETP P11597 1/20 0.31
GABRA5 P31644 1/20 0.31
CCR5 P51681 1/20 0.31
GRM5 P41594 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL29072746 0.81 CTSS (0.36) GABRA5CCR5
SCHEMBL26453317 0.81 RXRA (0.33) RXRAGRIN1GRIN2BCCR1CCR8
SCHEMBL23977997 0.72 CRHR1 (0.34) RXRAGRIN1GRIN2BCYP11B1CCR1
SCHEMBL15832227 0.70 CCR1 (0.43) RXRAGRIN1GRIN2BCCR1CCR8
SCHEMBL22811906 0.69 CCR1 (0.41) RXRAGRIN1GRIN2BCCR1CCR8
SCHEMBL12093748 0.68 GRM5 (0.47) GRIN2BCCR1CCR8GABRA5GRM5
SCHEMBL30072637 0.68 GRM5 (0.47) GRIN2BCCR1CCR8GABRA5GRM5
SCHEMBL17662601 0.67 MCHR1 (0.42) CCR1CCR8GABRA5GRM5NOS3
SCHEMBL7532095 0.67 HTR2A (0.41) HTR7
SCHEMBL23977883 0.67 MAPK1 (0.35) CCR1CCR8CCR5GRM5

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-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US 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 RXRA 955/4885GRIN1 2757/4885GRIN2B 1638/4885

“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.