SCHEMBL1852896

SCHEMBL1852896

CC(CCN1CCCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GABRR1 P24046 2/20 0.43
CHRM1 P11229 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL1856681 0.98 CYP1A2 (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1855094 0.98 CYP1A2 (0.50) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1859894 0.96 CYP1A2 (0.48) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1853458 0.96 CYP1A2 (0.48) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27379883 0.89 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18916791 0.84 CYP1A2 (0.48) CYP1A2SMN1; SMN2ALDH1A1POLBGABRR1
SCHEMBL24872517 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1L3MBTL1GABRR1KMT2A
SCHEMBL30091889 0.82 L3MBTL1 (0.52) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27258158 0.82 ALDH1A1 (0.44) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23375894 0.81 GABRR1 (0.45) CYP1A2SMN1; SMN2ALDH1A1GABRR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102918027-A Modulators of the gpr119 receptor and the treatment of disorders related thereto ARENA PHARM INC 2013-02-06 CN claimed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
CN-102918027-A Modulators of the gpr119 receptor and the treatment of disorders related thereto ARENA PHARM INC 2013-02-06 CN 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US 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
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO disclosed
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
EP-0596933-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-18 EP disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed
US-4020163-A Use of heterocyclic esters of 5H-[1]benzopyrano [3,4-b]pyridines as analgesics SHARPS ASSOCIATES (US) 1977-04-26 US disclosed
US-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 CYP1A2 1261/4885MAPK1 1781/4885SMN1; SMN2 2002/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CYP1A2 2584/4885MAPK1 1513/4885SMN1; SMN2 1693/4885

“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.