SCHEMBL10041964

SCHEMBL10041964

CC(=O)NC1=C(C)CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.45
ADRA2A P08913 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45
PTAFR P25105 1/20 0.45
HSP90AA1 P07900 3/20 0.45
HSP90AB1 P08238 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23772366 0.77 NPC1 (0.56) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL28448285 0.72 NPC1 (1.00) NPC1RAB9AKMT2ACYP1A2ADRA2A
SCHEMBL4161961 0.71 CYP2C19 (0.76) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL4162477 0.71 KMT2A (0.72) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL28381998 0.71 NPC1 (0.43) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL1200124 0.70 NPC1 (0.53) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL31301103 0.70 NPC1 (0.53) NPC1RAB9APOLBKMT2ACYP1A2
SCHEMBL11099181 0.70 ALDH1A1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2CES1
SCHEMBL21940769 0.69 CES1 (0.44) NPC1RAB9APOLBKMT2APTAFR
SCHEMBL7820594 0.69 NPC1 (0.86) NPC1RAB9AKMT2ACYP1A2ADRA2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110302-B2 Metal complex, intermediate, and preparation method and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2024-10-08 US disclosed
EP-3865494-B1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2024-07-24 EP disclosed
US-20230114794-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-04-13 US disclosed
CN-111018918-B Metal complex, intermediate, preparation method and application thereof 中国科学院上海有机化学研究所 2022-10-04 CN disclosed
EP-3865494-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-08-18 EP disclosed
EP-3865494-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-08-18 EP disclosed
CN-111018918-A Metal complex, intermediate, preparation method and application thereof 中国科学院上海有机化学研究所 2020-04-17 CN disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 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 (7 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885POLB 1181/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 NPC1 3994/4885RAB9A 4717/4885POLB 1015/4885
US-20230114794-A1 METAL COMPLEX, INTERMEDIATE, AND PREPARATION METHOD AND APPLICATION THEREOF AP2M1, AP3M1, AP1M1 NPC1 4355/4885RAB9A 1142/4885POLB 914/4885
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885POLB 1181/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885POLB 1181/4885
US-12110302-B2 Metal complex, intermediate, and preparation method and application thereof AP2M1, AP3M1, AP1M1 NPC1 4355/4885RAB9A 1142/4885POLB 914/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885POLB 1181/4885

“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.