SCHEMBL1858113

SCHEMBL1858113

O=C(O)CCCN1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
CYP1A2 P05177 1/20 1.00
MAPK1 P28482 1/20 1.00
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX15 P16050 1/20 0.49
KMT2A Q03164 3/20 0.47
GFER P55789 1/20 0.46
GLA P06280 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL472290 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9870336 0.98 CYP1A2 (0.96) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11544283 0.98 CYP1A2 (0.96) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1127792 0.98 CYP1A2 (0.96) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
SCHEMBL857572 0.98 SMN1; SMN2 (0.95) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Methane SCHEMBL11633126 0.96 CYP1A2 (0.92) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Bromide SCHEMBL11793837 0.95 SMN1; SMN2 (0.91) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL946654 0.95 SMN1; SMN2 (0.91) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
SCHEMBL2639576 0.93 CYP1A2 (0.88) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT
SCHEMBL547192 0.93 CYP1A2 (0.88) SMN1; SMN2CYP1A2MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005561-A Preparation and application of ionizable lipid molecules of benzaldehyde framework 浙江工业大学 2024-05-10 CN disclosed
CN-117843506-A Lipid molecule for delivering active ingredients and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-04-09 CN disclosed
CN-115286523-B Lipid molecules for delivery of active ingredients and preparation and use of compositions thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-03-19 CN disclosed
CN-117486738-A Lipid molecule and composition thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-02-02 CN disclosed
CN-115286523-A Preparation and use of lipid molecules and compositions thereof for the delivery of active ingredients 中国科学院基础医学与肿瘤研究所(筹) 2022-11-04 CN disclosed
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
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 SMN1; SMN2 2002/4885CYP1A2 1261/4885MAPK1 1781/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY SMN1; SMN2 3439/4885CYP1A2 1660/4885MAPK1 4513/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 SMN1; SMN2 1693/4885CYP1A2 2584/4885MAPK1 1513/4885

“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.