SCHEMBL20097032

SCHEMBL20097032

CCC(C)c1ccc(F)c(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ RORC P51449 1/20 0.33
▸ PDE2A O00408 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18780464 0.82 KCNH2 (0.37) HTR2AHTR2CPDE2A
SCHEMBL19629265 0.82 TSHR (0.42) TSHRRORCPDE2A
SCHEMBL12599943 0.79 GABRA1 (0.37) TSHRHTR2AHTR2C
SCHEMBL14457121 0.78 TSHR (0.39) TSHRRORCPDE2A
SCHEMBL18552712 0.78 AR (0.40) TSHR
SCHEMBL27548299 0.77 TSHR (0.38) TSHRRORCPDE2A
SCHEMBL19121860 0.77 LMNA (0.41) TSHRRORCPDE2A
SCHEMBL22871213 0.77 TSHR (0.47) TSHRRORC
SCHEMBL12735695 0.77 LMNA (0.41) TSHRRORCPDE2A
SCHEMBL16117013 0.77 LMNA (0.41) TSHRRORCPDE2A

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-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 — — US disclosed
EP-3397639-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 — — EP disclosed
US-10646486-B2 Polycyclic-carbamoylpyridone compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2020-05-12 — — US disclosed
US-20180110776-A1 POLYCYCLICCARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2018-04-26 — — 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 (3 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-20180110776-A1 POLYCYCLICCARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE PAICS, RPL5, CYP3A43 TSHR 4039/4885HTR2A 3768/4885HTR2C 3942/4885
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD TSHR 4706/4885HTR2A 4349/4885HTR2C 4095/4885
US-10646486-B2 Polycyclic-carbamoylpyridone compounds and their pharmaceutical use CPS1, PAICS, C9 TSHR 3413/4885HTR2A 4095/4885HTR2C 3876/4885

“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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