SCHEMBL4198217

SCHEMBL4198217

OCC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.54
GBA1 P04062 1/20 0.54
ALDH1A1 P00352 1/20 0.49
GRIN2B Q13224 2/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL459875 0.87 FUCA1 (0.56) FUCA1GBA1GRIN2BS1PR1S1PR5
SCHEMBL11413096 0.85 FUCA1 (0.60) FUCA1ALDH1A1GRIN2BS1PR1S1PR5
SCHEMBL16837173 0.83 FUCA1 (0.58) FUCA1GRIN2BSIGMAR1DRD2DRD3
SCHEMBL4191012 0.83 FUCA1 (0.50) FUCA1ALDH1A1SIGMAR1DRD2DRD3
SCHEMBL12371118 0.82 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BS1PR1
SCHEMBL3335710 0.82 FUCA1 (0.58) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL1707693 0.82 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BS1PR1
SCHEMBL15477204 0.82 FUCA1 (0.58) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL1010709 0.82 FUCA1 (0.58) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL1707725 0.82 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BS1PR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO 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 (3 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 FUCA1 1256/4885GBA1 1834/4885ALDH1A1 1806/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 FUCA1 3835/4885GBA1 1419/4885ALDH1A1 1771/4885
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FUCA1 1335/4885GBA1 1693/4885ALDH1A1 1361/4885

“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.