SCHEMBL2356908

SCHEMBL2356908

O=CCN1CCC(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.50
LTA4H P09960 1/20 0.49
EGFR P00533 2/20 0.48
CCR8 P51685 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8551044 0.85 MEN1 (0.59) SMN1; SMN2NPC1RAB9ACCR8KDM4E
Hydrochloric Acid SCHEMBL8550696 0.83 MEN1 (0.58) SMN1; SMN2NPC1RAB9ACCR8KDM4E
SCHEMBL8173819 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19LTA4H
SCHEMBL27541183 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19LTA4H
SCHEMBL14845464 0.82 HTR2A (0.64) SMN1; SMN2NPC1RAB9ALTA4HEGFR
SCHEMBL3361971 0.82 EGFR (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LTA4H
SCHEMBL26454342 0.81 EGFR (0.59) SMN1; SMN2NPC1RAB9ALTA4HEGFR
SCHEMBL10917021 0.81 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL6666657 0.81 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL280126 0.81 FABP7 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 US disclosed
EP-2528895-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2016-03-30 EP disclosed
CN-102858744-B trypsin-like serine protease inhibitor and preparation method and application thereof MEDICINES CO LEIPZIG GMBH 2015-03-04 CN disclosed
US-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-13 US disclosed
US-8598206-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-12-03 US disclosed
EP-2528895-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicines Company (Leipzig) GmbH (DE) 2012-12-05 EP disclosed
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-12-08 US disclosed
WO-2011094496-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (US) 2011-08-04 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 (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-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 SMN1; SMN2 4122/4885NPC1 3283/4885RAB9A 3553/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 SMN1; SMN2 4122/4885NPC1 3283/4885RAB9A 3553/4885

“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.