SCHEMBL8511686

SCHEMBL8511686

Cn1ncnc1CN(C[C@H]1C[C@H]2CNC[C@H]2C1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A5 Q9Y345 2/20 0.31
CYP3A4 P08684 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
SCHEMBL8511688 1.00 SLC6A9 (0.31) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL8510035 0.74 HTR1A (0.36) KCNH2
SCHEMBL8510277 0.71 AGTR2 (0.33)
SCHEMBL8510275 0.71 AGTR2 (0.33)
SCHEMBL8513724 0.67 CHRNA4 (0.33)
SCHEMBL8509629 0.67 CHRNA4 (0.33)
SCHEMBL26912264 0.59 HSD17B10 (0.44)
SCHEMBL29086054 0.56 GSK3B (0.44)
SCHEMBL3274646 0.55 USP30 (0.53)
SCHEMBL1624125 0.55 USP30 (0.53)

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-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 US disclosed
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CA9, SCN9A, CCR9 SLC6A9 158/4885KCNH2 212/4885SLC6A5 999/4885

“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.