SCHEMBL25005448

SCHEMBL25005448

C[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.39
▸ GRM2 Q14416 6/20 0.39
▸ SLC6A4 P31645 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ MBOAT4 Q96T53 1/20 0.35
▸ KDM1A O60341 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL25005425 0.91 AR (0.39) ARGRM2SLC6A4PGRSLC22A12
SCHEMBL30224570 0.78 GRM2 (0.34) ARGRM2SLC6A4MBOAT4
SCHEMBL23995539 0.76 AR (0.48) ARKDM1APGR
SCHEMBL23993667 0.76 SLC6A4 (0.41) ARGRM2SLC6A4CHRM2CHRM1
SCHEMBL25004524 0.75 SLC6A4 (0.38) ARSLC6A4KDM1APGR
SCHEMBL25006008 0.75 TRPV4 (0.46) ARSLC6A4KDM1A
SCHEMBL25005998 0.75 TSHR (0.41) ARSLC6A4
SCHEMBL2665024 0.73 AR (0.49) ARGRM2MBOAT4SLC22A12
SCHEMBL21381847 0.72 PDE4B (0.45) AR
SCHEMBL30149813 0.72 PDE4B (0.45) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E AR 2789/4885GRM2 2198/4885SLC6A4 1120/4885

“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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