SCHEMBL4840984

SCHEMBL4840984

CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
HPGD P15428 3/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
CASP1 P29466 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MCL1 Q07820 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 1/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56

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
SCHEMBL14052229 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL21059214 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7924710 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL21059194 0.98 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10192215 0.94 RAB9A (0.70) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.94 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13931799 0.93 TSHR (0.56) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13931804 0.93 TSHR (0.56) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13931805 0.93 TSHR (0.56) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL12723978 0.92 TSHR (0.67) NPC1RAB9ASMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903259-B Process for efficiently synthesizing Cetilistat by taking 2-amino-5-methylbenzoic acid as raw material 合肥工业大学 2023-04-07 CN disclosed
CN-110903259-A Process for efficiently synthesizing Cetilistat by taking 2-amino-5-methylbenzoic acid as raw material 合肥工业大学 2020-03-24 CN disclosed
CN-105622538-B One kettle way prepares Cetilistat in high yield 中国医学科学院药物研究所 2019-02-01 CN disclosed
WO-2018011676-A1 NOVEL PROCESSES FOR THE PREPARATION OF 2-OXY-BENZOXAZINONE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-18 WO disclosed
WO-2018011676-A1 NOVEL PROCESSES FOR THE PREPARATION OF 2-OXY-BENZOXAZINONE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-18 WO disclosed
CN-105669585-A Preparation method of cetilistat 北京修正创新药物研究院有限公司 2016-06-15 CN disclosed
CN-105622538-A One-pot high-yielding preparation of cetilistat INST MATERIA MEDICA CAMS 2016-06-01 CN disclosed
CN-103936687-B A kind of west of preparing is for the method for Li Sita CHONGQING TOPTECH PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2016-03-30 CN disclosed
CN-103936687-A Method for preparing cetilistat CHONGQING TOPTECH PHARMACEUTICAL TECHNOLOGY CO LTD 2014-07-23 CN disclosed
US-20080171891-A1 Process for preparing carbamic ester derivatives HOLZER BETTINA 2008-07-17 US disclosed
US-20080171891-A1 Process for preparing carbamic ester derivatives HOLZER BETTINA 2008-07-17 US disclosed
US-7396952-B2 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US disclosed
US-7396952-B2 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US disclosed
US-20070232825-A1 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
US-20070232825-A1 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 CN 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-20080171891-A1 Process for preparing carbamic ester derivatives CPS1, CA7, CA4 NPC1 1638/4885RAB9A 1332/4885SMN1; SMN2 1792/4885
US-20070232825-A1 Process for preparing carbamic ester derivatives CPS1, CA7, CA4 NPC1 1638/4885RAB9A 1332/4885SMN1; SMN2 1792/4885

“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.