SCHEMBL22587922

SCHEMBL22587922

O=C(O)Cn1c(=O)n(C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ ENPP2 Q13822 1/20 0.49
▸ OPRL1 P41146 8/20 0.46
▸ OPRM1 P35372 5/20 0.46
▸ C5AR1 P21730 2/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43

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
SCHEMBL22605684 0.87 OPRL1 (0.47) CACNA1GCACNA1HENPP2OPRL1OPRM1
SCHEMBL22605671 0.86 HSD11B1 (0.48) CACNA1GCACNA1HCTSSHSD11B1HRH3
SCHEMBL22605739 0.85 CTSS (0.55) CACNA1GCACNA1HCTSSCYP3A4HSD11B1
SCHEMBL22587798 0.82 CACNA1G (0.44) CACNA1GCACNA1HC5AR1CYP3A4CYP2D6
SCHEMBL30317157 0.78 HSD11B1 (0.73) OPRL1OPRM1CTSSCYP3A4HSD11B1
SCHEMBL22594434 0.78 HSD11B1 (0.73) OPRL1OPRM1CTSSCYP3A4HSD11B1
SCHEMBL22587888 0.78 TNKS (0.49) HSD11B1HRH3ME2ME1ME3
SCHEMBL22605543 0.77 HSD11B1 (0.59) OPRL1OPRM1CTSSHSD11B1HRH3
SCHEMBL22587806 0.76 HRH3 (0.45) HSD11B1HRH3ME2ME1ME3
SCHEMBL22588034 0.75 HSD11B1 (0.57) CTSSHSD11B1HRH3ME2ME1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CACNA1G 2524/4885CACNA1H 2517/4885ENPP2 1962/4885

“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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