SCHEMBL12642741

SCHEMBL12642741

CCC(C)N1CCC[C@H]1C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 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
SCHEMBL13406669 1.00 L3MBTL1 (0.39) L3MBTL1DRD2DRD3CHRM4CHRM5
SCHEMBL14234019 0.94 L3MBTL1 (0.35) L3MBTL1
SCHEMBL14310363 0.82 CHRM3 (0.32) CHRM3
SCHEMBL8350061 0.82 CHRM3 (0.32) CHRM3
SCHEMBL16864502 0.79 — —
SCHEMBL16542281 0.78 — —
SCHEMBL17346685 0.78 CHRM4 (0.31) CHRM4CHRM5CHRM1CHRM3
SCHEMBL27927683 0.77 SHBG (0.30) —
SCHEMBL13850386 0.76 PARP1 (0.32) —
SCHEMBL6108591 0.76 PARP1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160156204-A1 BATTERY PACK SAMSUNG SDI CO., LTD. (KR) 2016-06-02 — — US disclosed
US-20110142941-A1 Nanoparticle and Polymer Formulations for Thyroid Hormone Analogs, Antagonists, and Formulations and Uses Thereof NANOPHARMACEUTICALS LLC 2011-06-16 — — 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-20110142941-A1 Nanoparticle and Polymer Formulations for Thyroid Hormone Analogs, Antagonists, and Formulations and Uses Thereof TSHR, THRA, TRHR L3MBTL1 2829/4885DRD2 2489/4885DRD3 2384/4885

“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.

Send feedback