SCHEMBL2847321

SCHEMBL2847321

CC(=O)NC1(CN)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
P2RX7 Q99572 1/20 0.35
HTT P42858 1/20 0.34
MME P08473 1/20 0.30

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
SCHEMBL15823888 0.98 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL2839889 0.91
SCHEMBL14165607 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL976812 0.80 MME (0.44) ALDH1A1P2RX7HTTMME
SCHEMBL5220339 0.78 HTT (0.38) ALDH1A1SMN1; SMN2LMNAP2RX7HTT
SCHEMBL3892858 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL2838140 0.78 USP2 (0.33) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL5221342 0.77 CETP (0.36) ALDH1A1LMNAP2RX7HTTMME
SCHEMBL3373260 0.77 CYP2C19 (0.42) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL23715196 0.76 MME (0.41) ALDH1A1P2RX7HTTMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266951-A1 Organic compounds Novartis AG (CH) 2010-12-29 EP disclosed
US-20090253701-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253703-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 US disclosed
US-7582782-B2 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2009-09-01 US disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
EP-1689702-A1 ORGANIC COMPOUNDS NOVARTIS-PHARMA GMBH (AT) 2006-08-16 EP disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 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-20090253701-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN ALDH1A1 233/4885SMN1; SMN2 2362/4885USP2 4172/4885
US-20090253703-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN ALDH1A1 233/4885SMN1; SMN2 2362/4885USP2 4172/4885
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers AGTR1, REN, AGTR2 ALDH1A1 453/4885SMN1; SMN2 2454/4885USP2 4006/4885

“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.