SCHEMBL3767544

SCHEMBL3767544

O=C1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
HTR2C P28335 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.43
CTRB1 P17538 1/20 0.43
P2RX4 Q99571 2/20 0.43
PARP1 P09874 1/20 0.42
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41

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
SCHEMBL1570950 0.92 NPC1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL31252097 0.83 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL11860696 0.81 GAA (0.63) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7277648 0.81 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2539997 0.81 NPC1 (0.67) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7284424 0.80 ALDH1A1 (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL8384325 0.79 GAA (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL23163772 0.79 SMN1; SMN2 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2HTR2C
SCHEMBL29235094 0.79 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL25202798 0.79 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HTR2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186232-B1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2019-03-27 EP disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-8569313-B2 Meta-substituted phenyl sulfonyl amides of secondary amino acid amides, the production thereof, and use thereof as matriptase inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-29 US disclosed
US-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-12-02 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 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 (1 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-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MMP7, DNPEP, METAP1 NPC1 3057/4885RAB9A 2590/4885L3MBTL1 2328/4885

“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.