SCHEMBL7533707

SCHEMBL7533707

CCCCOc1ccc(NC=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TSHR P16473 1/20 0.47
CA7 P43166 1/20 0.47
LTA4H P09960 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL2089558 0.96 NPC1 (0.59) NPC1RAB9AGAAFAAHTSHR
SCHEMBL7929814 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL8957605 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL19946505 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL19946498 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL5948127 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL2089958 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL7930488 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL2200288 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL10563396 0.95 NPC1 (0.58) NPC1RAB9AFAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
EP-0318759-B1 MULTILAYERED ELECTROPHOTOGRAPHICAL RECORDING MATERIAL BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
US-4924003-A Pyrazoline compounds BASF AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
US-4883732-A Method of forming printing plate using isoindolenine deratives BASF AKTIENGESELLSCHAFT (DE) 1989-11-28 US disclosed
US-4880718-A AS PHOTOSENSITIZERS AND CHARGE GENERATING COMPOUNDS; OFFSET PRINTING PLATES, COPIERS, PHOTORESISTS MADE USING LASERS; HIGH CONTRAST AND VOLTAGE BASF AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 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 (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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885GAA 3316/4885

“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.