SCHEMBL23419121

SCHEMBL23419121

Fc1cc2[nH]c(CN3CCCCC3)cc2cc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 5/20 0.38
▸ DRD4 P21917 5/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD1 P21728 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35

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
SCHEMBL25992430 0.85 DRD4 (0.42) DRD3DRD4SIGMAR1DRD5DRD1
SCHEMBL23419028 0.80 HRH3 (0.52) DRD3DRD4SLC6A3SLC6A4HRH4
SCHEMBL23419006 0.79 ALDH1A1 (0.55) DRD4ALDH1A1HTTKDM4E
SCHEMBL23389183 0.79 CYP19A1 (0.38) DRD3DRD4SIGMAR1DRD5DRD1
SCHEMBL29943836 0.79 CYP19A1 (0.38) DRD3DRD4SIGMAR1DRD5DRD1
SCHEMBL25987671 0.76 BTK (0.38) ROCK2
SCHEMBL25991354 0.74 HRH4 (0.51) DRD3HRH4HRH3
SCHEMBL23419026 0.73 AXL (0.38) KDM4E
SCHEMBL29943304 0.71 DRD4 (0.32) DRD3DRD4SIGMAR1DRD5DRD1
SCHEMBL25994875 0.70 DRD4 (0.32) DRD3DRD4SIGMAR1DRD5SLC6A3

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-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

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 DRD3 4829/4885DRD4 4769/4885SIGMAR1 4395/4885

“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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