SCHEMBL1860729

SCHEMBL1860729

COC(=O)CCC(C)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A1 P43005 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL1863189 0.82 L3MBTL1 (0.42) TSHRSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9774544 0.81 MAPT (0.47) TSHRSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1857503 0.81 L3MBTL1 (0.41) TSHRSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9774580 0.79 ALDH1A1 (0.46) TSHRSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9774519 0.79 ALDH1A1 (0.46) TSHRSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1856575 0.79 CYP1A2 (0.50) SMN1; SMN2ALDH1A1POLBMAPTTDP1
Hydrochloric Acid SCHEMBL25369419 0.77 CYP1A2 (0.48) SMN1; SMN2ALDH1A1POLBMAPTTDP1
SCHEMBL5751266 0.77 CYP1A2 (0.48) SMN1; SMN2ALDH1A1POLBMAPTTDP1
SCHEMBL25670360 0.73 GAA (0.48) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL29039245 0.73 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1POLBSLC1A1

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 TSHR 490/4885SMN1; SMN2 2002/4885ALDH1A1 1232/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 TSHR 410/4885SMN1; SMN2 1693/4885ALDH1A1 2163/4885

“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.