SCHEMBL19630896

SCHEMBL19630896

CCC(=O)C1CC2C=C[C@@H]1N(C(=O)OC)C2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PDE4B Q07343 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
SCHEMBL26323941 1.00 TSHR (0.38) TSHRPDE4B
SCHEMBL16504401 0.84 TSHR (0.41) TSHR
SCHEMBL15308950 0.84 TSHR (0.41) TSHR
SCHEMBL14720464 0.84 TSHR (0.41) TSHR
SCHEMBL19630914 0.83 TSHR (0.36) TSHRPDE4B
SCHEMBL14720709 0.79 TSHR (0.40) TSHR
SCHEMBL30550528 0.78 TSHR (0.36) TSHR
SCHEMBL20216320 0.78 TSHR (0.36) TSHR
SCHEMBL8314920 0.77 TSHR (0.43) TSHR
SCHEMBL16522899 0.77

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 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 (2 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TSHR 312/4885PDE4B 3415/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 TSHR 312/4885PDE4B 3415/4885

“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.