SCHEMBL25004524

SCHEMBL25004524

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.38
▸ PGR P06401 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ AR P10275 4/20 0.35
▸ TRPV4 Q9HBA0 2/20 0.35
▸ KDM1A O60341 5/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ KDM1B Q8NB78 1/20 0.34
▸ PLA2G7 Q13093 2/20 0.33
▸ PTP4A3 O75365 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
SCHEMBL25006008 0.86 TRPV4 (0.46) SLC6A4ARTRPV4KDM1AKCNH2
SCHEMBL25005998 0.79 TSHR (0.41) SLC6A4HTR2AHTR2CHTR2BAR
SCHEMBL20202734 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL13192766 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL20997590 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL808663 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL808747 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL31734535 0.77 PTP4A3 (0.38) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25005448 0.75 AR (0.39) SLC6A4PGRARKDM1A
SCHEMBL23993559 0.75 SLC6A4 (0.38) SLC6A4HTR2AARKCNH2

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 SLC6A4 1120/4885PGR 1169/4885HTR2A 1593/4885

“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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