SCHEMBL1858607

SCHEMBL1858607

CC(CCC1CCNC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.50
SLC6A1 P30531 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRB2 P47870 2/20 0.50
SLC6A12 P48065 2/20 0.50
SLC6A11 P48066 2/20 0.50
SLC6A13 Q9NSD5 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRA4 P48169 1/20 0.50
CPN1 P15169 4/20 0.40
CPB2 Q96IY4 4/20 0.40
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 1/20 0.35
BLM P54132 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13014787 0.89 CPN1 (0.46) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL6749320 0.89 CPN1 (0.46) GABRR1SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL27500621 0.88 CPN1 (0.45) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL25661086 0.82 SLC6A1 (0.53) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL1854407 0.82 SLC6A1 (0.42) GABRR1SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL3511980 0.81 SLC6A1 (0.52) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL5323000 0.79 SLC6A1 (0.50) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL8507678 0.79 CPN1 (0.44) GABRR1CPN1CPB2CYP1A2BLM
SCHEMBL4409084 0.77 SLC6A1 (0.41) GABRR1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL12784741 0.77 SLC6A1 (0.41) GABRR1SLC6A1GABRA5GABRB2SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 GABRR1 70/4885SLC6A1 1003/4885GABRA5 106/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 GABRR1 69/4885SLC6A1 917/4885GABRA5 124/4885

“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.