SCHEMBL2233833

SCHEMBL2233833

CC(OC(=O)Cl)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HTR2B P41595 3/20 0.40
HTR7 P34969 2/20 0.40
PNMT P11086 1/20 0.38
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2C P28335 2/20 0.34
MAOA P21397 2/20 0.34
SRD5A2 P31213 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL20920147 0.87 RAB9A (0.47) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL6129764 0.83 RAB9A (0.43) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL4462321 0.80 NPC1 (0.41) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL9449677 0.79 PNMT (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL2316415 0.78 RAB9A (0.42) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL9420910 0.77 NPC1 (0.50) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL1567119 0.77 NPC1 (0.50) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL30710206 0.76 NPC1 (0.40) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL2231457 0.76 NPC1 (0.47) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7166662 0.76 PNMT (0.46) RAB9ANPC1HTR2BHTR7PNMT

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
US-20200146989-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE UNIVERSITY OF COPENHAGEN (DK) 2020-05-14 US disclosed
EP-3559016-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE University of Copenhagen (DK) 2019-10-30 EP disclosed
WO-2018113891-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE UNIVERSITY OF COPENHAGEN (DK) 2018-06-28 WO disclosed
US-9096493-B2 Preparation method of high-purity L-carnitine CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2015-08-04 US disclosed
EP-2360141-B1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-11 EP disclosed
US-20110263897-A1 PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2011-10-27 US disclosed
EP-2360141-A1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-08-24 EP 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-20110263897-A1 PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CPT2, CRAT, CPT1B RAB9A 4613/4885NPC1 1230/4885HTR2B 1259/4885
US-20200146989-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE DNPEP, PEPD, IDUA RAB9A 3560/4885NPC1 2281/4885HTR2B 4481/4885

“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.