SCHEMBL23977996

SCHEMBL23977996

COC[C@@H](Oc1cc(C)ccn1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.35
RXRA P19793 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
CCR5 P51681 2/20 0.34
UHRF1 Q96T88 1/20 0.34
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL25257430 0.82 LOXL2 (0.55) LOXLOXL2
SCHEMBL23977997 0.81 CRHR1 (0.34) CRHR1RXRAGRIN1GRIN2BCCR5
SCHEMBL25259201 0.81 JAK2 (0.35) KDM4ECYP11B1
SCHEMBL30399082 0.79 OGA (0.35) CCR5CCR1CCR8KDM4EALDH1A1
SCHEMBL25258921 0.78 LOXL2 (0.50) LOXLOXL2
SCHEMBL16642358 0.76 CYP11B1 (0.46) CRHR1RXRAGRIN1GRIN2BCCR5
SCHEMBL23977998 0.76 CYP11B1 (0.46) CRHR1RXRAGRIN1GRIN2BCCR5
SCHEMBL30992022 0.72 UHRF1 (0.45) CRHR1RXRAGRIN1GRIN2BCCR5
SCHEMBL16642357 0.72 UHRF1 (0.45) CRHR1RXRAGRIN1GRIN2BCCR5
SCHEMBL26453317 0.72 RXRA (0.33) RXRAGRIN1GRIN2BCCR1CCR8

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
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 CRHR1 2397/4885RXRA 955/4885GRIN1 2757/4885

“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.