SCHEMBL19003754

SCHEMBL19003754

C[C@H](N1CCCC1)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL13119906 1.00 SIGMAR1 (0.30) SIGMAR1
SCHEMBL19122485 1.00 SIGMAR1 (0.30) SIGMAR1
SCHEMBL9284499 0.97 FDPS (0.32)
SCHEMBL13119908 0.94 SIGMAR1 (0.33) SIGMAR1
SCHEMBL26854563 0.94 SIGMAR1 (0.33) SIGMAR1
SCHEMBL26854562 0.94 SIGMAR1 (0.33) SIGMAR1
SCHEMBL26253292 0.80 HRH3 (0.38) SIGMAR1
SCHEMBL23108395 0.78 MC4R (0.39)
SCHEMBL25650083 0.78
SCHEMBL14169485 0.76 OPRD1 (0.35) SIGMAR1

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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B SIGMAR1 1635/4885

“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.