SCHEMBL19978872

SCHEMBL19978872

C=C(C)NC(CC)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL20707028 0.81
SCHEMBL19388306 0.79 TSHR (0.33) TSHR
SCHEMBL12086289 0.76 KDM4E (0.35) TSHR
SCHEMBL14376297 0.76 KDM4E (0.35) TSHR
SCHEMBL5207103 0.74 TSHR (0.33) TSHR
SCHEMBL20047471 0.72
SCHEMBL4268119 0.71
SCHEMBL10066634 0.70 CYP2C9 (0.45) TSHR
SCHEMBL12404657 0.70 CNR2 (0.39) TSHR
SCHEMBL25583790 0.70 CYP2C9 (0.45) TSHR

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-20220018849-A1 SERINE HYDROLASE PROFILING ASSAY IN BIOTHERAPEUTICS MERCK SHARP & DOHME LLC 2022-01-20 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 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-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 TSHR 3302/4885

“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.