SCHEMBL25004763

SCHEMBL25004763

CCC1C[C@@H]1c1ccc2cnn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE1C Q14123 1/20 0.43
▸ SLC6A4 P31645 6/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ HDAC4 P56524 3/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ KDM1A O60341 2/20 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
SCHEMBL23994880 0.80 HTR2A (0.45) SLC6A4HTR2CHTR2BHTR2A
SCHEMBL23995200 0.80 HTR2C (0.34) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23994874 0.79 SLC6A4 (0.36) PDE1CSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL23994574 0.79 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23995267 0.78 PDE1C (0.43) PDE1CNOTUMHTR2CHTR2BHDAC4
SCHEMBL29855932 0.76 HDAC4 (0.49) PDE1CSLC6A4NOTUMHDAC4ERCC1
SCHEMBL10288759 0.76 PDE1C (0.49) PDE1CNOTUMHDAC4ERCC1ERCC4
SCHEMBL10289076 0.76 PDE1C (0.49) PDE1CNOTUMHDAC4ERCC1ERCC4
SCHEMBL2137211 0.76 PDE1C (0.49) PDE1CNOTUMHDAC4ERCC1ERCC4
SCHEMBL2134501 0.74 PDE1C (0.50) PDE1CSLC6A4SLC6A3HDAC4CDK8

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 PDE1C 2728/4885SLC6A4 1120/4885NOTUM 3908/4885

“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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