SCHEMBL2324124

SCHEMBL2324124

CCc1cccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MBOAT4 Q96T53 1/20 0.43
ADRB1 P08588 1/20 0.41
IDH1 O75874 5/20 0.41
IDH2 P48735 1/20 0.41
GRM5 P41594 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
NOTUM Q6P988 1/20 0.39
MAOB P27338 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE4B Q07343 1/20 0.36
NR3C1 P04150 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
SCHEMBL20889907 0.86 IDH1 (0.35) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL8190474 0.84 KCNH2 (0.46) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL18494297 0.81 KCNH2 (0.56) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL830319 0.81 KCNH2 (0.36) MBOAT4HRH4
SCHEMBL24620449 0.80 KCNH2 (0.33) MBOAT4ADRB1
SCHEMBL10202962 0.80 IDH1 (0.46) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL21503525 0.80 ADRB1 (0.40) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL2258434 0.80 P2RX7 (0.41) P2RX7MBOAT4ADRB1IDH1IDH2
SCHEMBL13181472 0.79 MBOAT4 (0.41) P2RX7MBOAT4HRH4MAOBHTR2C
SCHEMBL317403 0.79 P2RX7 (0.47) P2RX7MBOAT4ADRB1IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054472-B2 1,2,4-triazine-4-amine derivatives NXERA PHARMA UK LIMITED (GB) 2024-08-06 US disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 P2RX7 4003/4885MBOAT4 2339/4885ADRB1 4853/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 P2RX7 2998/4885MBOAT4 1196/4885ADRB1 636/4885
US-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 P2RX7 42/4885MBOAT4 4772/4885ADRB1 2428/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 P2RX7 277/4885MBOAT4 1874/4885ADRB1 218/4885
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, F3 P2RX7 60/4885MBOAT4 3105/4885ADRB1 829/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 P2RX7 657/4885MBOAT4 4791/4885ADRB1 16/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 P2RX7 49/4885MBOAT4 3491/4885ADRB1 21/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP P2RX7 2326/4885MBOAT4 4367/4885ADRB1 2811/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 P2RX7 60/4885MBOAT4 3105/4885ADRB1 829/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 P2RX7 2879/4885MBOAT4 3251/4885ADRB1 2843/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885MBOAT4 2357/4885ADRB1 4698/4885

“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.