SCHEMBL20158951

SCHEMBL20158951

C=C(C(C)CCC)C1CCN(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.32
GNAO1 P09471 3/20 0.32
GNAI1 P63096 3/20 0.32
NCF1 P14598 1/20 0.31

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
SCHEMBL18782820 0.80 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL800830 0.77 NCF1 (0.33) NCF1
SCHEMBL19388438 0.70 CHRNB4 (0.40) GNAI3GNAO1GNAI1
SCHEMBL13185832 0.69 GNAI3 (0.40) GNAI3GNAO1GNAI1NCF1
SCHEMBL20880180 0.69 NCF1 (0.38) GNAI3GNAO1GNAI1NCF1
SCHEMBL18470452 0.69 NCF1 (0.38) GNAI3GNAO1GNAI1NCF1
SCHEMBL19993220 0.68
SCHEMBL19928673 0.68 CCNT1 (0.36) NCF1
SCHEMBL6027356 0.67 NCF1 (0.37) GNAI3GNAO1GNAI1NCF1
SCHEMBL13772759 0.66 NCF1 (0.39) GNAI3GNAO1GNAI1NCF1

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-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 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-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 GNAI3 159/4885GNAO1 594/4885GNAI1 313/4885

“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.