SCHEMBL686085

SCHEMBL686085

CCCN1CCN(CCS)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
SIGMAR1 Q99720 2/20 0.43
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
DRD3 P35462 1/20 0.36
ALOX15 P16050 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
SCHEMBL681521 0.85
SCHEMBL6512381 0.85 DRD2 (0.52) DRD2SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL19546253 0.85 DRD2 (0.52) DRD2SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL10829091 0.85 ALOX15 (0.44) ALOX15
SCHEMBL8775141 0.85
SCHEMBL384210 0.85 DRD2 (0.52) DRD2SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL1673059 0.85 ALOX15 (0.44) ALOX15
SCHEMBL1046369 0.85 DRD2 (0.52) DRD2SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL15183069 0.83 SIGMAR1 (0.37) SIGMAR1ALOX15
SCHEMBL6659994 0.82 DRD2 (0.50) DRD2SIGMAR1GNAI3GNAO1GNAI1

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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 DRD2 4873/4885SIGMAR1 3549/4885GNAI3 530/4885

“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.