SCHEMBL827728

SCHEMBL827728

Cc1cccnc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
NPC1 O15118 2/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
FDPS P14324 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
METAP2 P50579 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
PSMD14 O00487 1/20 0.36

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
SCHEMBL23343844 0.86 NOS3 (0.46) NOS3NOS1NOS2NPC1PLAU
SCHEMBL15723889 0.85 NOS3 (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL29857523 0.84 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL20482609 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL2084135 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL24873408 0.84 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL30140878 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL23747533 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL506508 0.84 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL507147 0.84 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US claimed
EP-1891074-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2008-02-27 EP claimed
WO-2006138682-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO claimed
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
US-20240366598-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2024-11-07 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
WO-2024081904-A1 METHODS FOR TREATING CANCER GENESIS THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (9 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-20240366598-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF GIPR, GLP1R, GPR119 NOS3 1496/4885NOS1 1755/4885NOS2 2162/4885
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NOS3 3737/4885NOS1 3170/4885NOS2 3199/4885
US-20070027159-A1 Therapeutic agents useful for treating pain ARRB1, FPR1, OPRL1 NOS3 902/4885NOS1 1526/4885NOS2 1311/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS NOS3 4605/4885NOS1 4649/4885NOS2 4513/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 NOS3 3929/4885NOS1 3193/4885NOS2 3960/4885
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase IL2, NFATC1, IL2RA NOS3 2003/4885NOS1 1860/4885NOS2 652/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 NOS3 654/4885NOS1 852/4885NOS2 1042/4885
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 NOS3 11/4885NOS1 4/4885NOS2 5/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NOS3 1368/4885NOS1 1250/4885NOS2 1189/4885

“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.