SCHEMBL23389183

SCHEMBL23389183

N[C@H]1CN(Cc2cc3cc(OC(F)(F)F)c(F)cc3[nH]2)CC[C@H]1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.38
▸ SIGMAR1 Q99720 5/20 0.37
▸ DRD4 P21917 4/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ DRD1 P21728 2/20 0.35
▸ DDR1 Q08345 3/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PHKG2 P15735 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ IRAK1 P51617 1/20 0.32

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
SCHEMBL29943836 1.00 CYP19A1 (0.38) CYP19A1SIGMAR1DRD4DRD3DRD5
SCHEMBL25992430 0.81 DRD4 (0.42) SIGMAR1DRD4DRD3DRD5SLC6A4
SCHEMBL29943304 0.79 DRD4 (0.32) SIGMAR1DRD4DRD3DRD5SLC6A4
SCHEMBL23418993 0.79 DRD4 (0.32) SIGMAR1DRD4DRD3DRD5SLC6A4
SCHEMBL23389135 0.79 DRD4 (0.32) SIGMAR1DRD4DRD3DRD5SLC6A4
SCHEMBL23419121 0.79 DRD3 (0.38) SIGMAR1DRD4DRD3DRD5SLC6A4
SCHEMBL29943939 0.78 FPR2 (0.42) DRD3
SCHEMBL23419132 0.78 FPR2 (0.42) DRD3
SCHEMBL23389122 0.78 FPR2 (0.42) DRD3
SCHEMBL25994875 0.73 DRD4 (0.32) SIGMAR1DRD4DRD3DRD5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF SHANGPHARMA INNOVATION INC. 2025-08-21 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — 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 (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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 CYP19A1 3488/4885SIGMAR1 4395/4885DRD4 4769/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 CYP19A1 3488/4885SIGMAR1 4395/4885DRD4 4769/4885

“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.

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