SCHEMBL21038372

SCHEMBL21038372

CC(C)C1CCN(CC(C)C2CCNCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.36
GNAI3 P08754 4/20 0.34
GNAI1 P63096 4/20 0.34
SMYD3 Q9H7B4 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL21911443 0.94 GNAO1 (0.34) GNAO1GNAI3GNAI1SMYD3
SCHEMBL18648899 0.90 SMYD3 (0.35) SMYD3
SCHEMBL18922637 0.77 GNAI3 (0.31) GNAO1GNAI3GNAI1
SCHEMBL23961354 0.76 GNAO1 (0.32) GNAO1GNAI3GNAI1
SCHEMBL18074011 0.76 PIK3CD (0.45) SMN1; SMN2
SCHEMBL9976596 0.76 PIK3CD (0.45) SMN1; SMN2
SCHEMBL6613727 0.75 SMYD3 (0.37) GNAO1SMYD3SMN1; SMN2
SCHEMBL26296782 0.73 CCL5 (0.31)
SCHEMBL26287164 0.73 CCL5 (0.31)
SCHEMBL24950281 0.72 SMN1; SMN2 (0.42) GNAO1GNAI3GNAI1SMYD3SMN1; SMN2

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-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 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-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 GNAO1 806/4885GNAI3 990/4885GNAI1 1105/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 GNAO1 830/4885GNAI3 783/4885GNAI1 855/4885

“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.