SCHEMBL3060271

SCHEMBL3060271

O=C(O)C1CCCN1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
BRS3 P32247 1/20 0.40
FFAR1 O14842 1/20 0.40
PORCN Q9H237 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3060275 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ARXFP1
SCHEMBL16197772 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ARXFP1
SCHEMBL22798963 0.95 BRS3 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ARXFP1
SCHEMBL11985533 0.85 CNR2 (0.41) ALDH1A1RXFP1CHRNB2CHRNA7CHRNA4
SCHEMBL25262222 0.85 TDP1 (0.45) SMN1; SMN2MAPTALDH1A1KMT2ACHRNB2
SCHEMBL630857 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1KMT2AFFAR1
SCHEMBL432319 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1KMT2AFFAR1
SCHEMBL15664724 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1KMT2AFFAR1
SCHEMBL9104214 0.83 FFAR1 (0.53) SMN1; SMN2MAPTFFAR1
SCHEMBL3708048 0.83 FFAR1 (0.53) SMN1; SMN2MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 EP claimed
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 EP disclosed
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-8247415-B2 Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 US disclosed
EP-2125870-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2008098368-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (4 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL SMN1; SMN2 4258/4885MAPT 4113/4885ALDH1A1 939/4885
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3387/4885MAPT 3296/4885ALDH1A1 369/4885
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3387/4885MAPT 3296/4885ALDH1A1 369/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3387/4885MAPT 3296/4885ALDH1A1 369/4885

“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.