SCHEMBL25005998

SCHEMBL25005998

Cc1cc([C@H]2C[C@@H]2C)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ SLC6A4 P31645 3/20 0.40
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ AR P10275 4/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ S1PR1 P21453 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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 0.82 TRPV4 (0.46) SLC6A4ARCYP11B2CYP11B1
SCHEMBL23993559 0.81 SLC6A4 (0.38) SLC6A4HTR2AARMAOAMAOB
SCHEMBL2474594 0.80 FFAR1 (0.52) ARUSP30S1PR1S1PR5S1PR3
SCHEMBL4509439 0.80 FFAR1 (0.52) ARUSP30S1PR1S1PR5S1PR3
SCHEMBL23995539 0.80 AR (0.48) AR
SCHEMBL23993565 0.80 SLC6A4 (0.49) TSHRSLC6A4HTR2AHTR2CHTR2B
SCHEMBL25004524 0.79 SLC6A4 (0.38) SLC6A4HTR2AHTR2CHTR2BAR
SCHEMBL13326647 0.77 S1PR1 (0.41) ARUSP30S1PR1S1PR5S1PR3
SCHEMBL15112858 0.77 USP30 (0.47) TSHRHTR2CARUSP30CYP11B2
SCHEMBL31335 0.75 USP30 (0.46) TSHRARUSP30CYP11B2CYP11B1

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 TSHR 2272/4885SLC6A4 1120/4885HTR2A 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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