SCHEMBL333000

SCHEMBL333000

N#CCc1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.44
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
ENPP2 Q13822 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
MMP3 P08254 1/20 0.36
PARP1 P09874 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FAAH O00519 1/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL502913 0.84 PTPRC (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL29392470 0.84 PTPRC (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL435376 0.81 HTT (0.41) KDM4EPTPRCPTPN1ENPP2CYP11B1
SCHEMBL7198498 0.81 ENPP2 (0.41) CYP1A2KDM4EPTPRCPTPN1ENPP2
SCHEMBL9103643 0.81 MEN1 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL11220327 0.80 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL4375333 0.76 ALOX15 (0.45) KDM4EPTPRCPTPN1ENPP2TDP1
SCHEMBL11811358 0.76 PTPRC (0.38) KDM4EPTPRCPTPN1ENPP2TDP1
SCHEMBL3078182 0.76 PTPRC (0.38) CYP1A2KDM4EPTPRCPTPN1ENPP2
SCHEMBL8280063 0.76 ENPP2 (0.38) CYP2C9CYP2C19KDM4EPTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS DRAIG THERAPEUTICS LTD. (GB) 2025-06-19 US disclosed
WO-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 WO disclosed
US-20240366614-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2024-11-07 US disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
US-20240034717-A1 NOVEL POTASSIUM CHANNEL INHIBITORS SANIONA A/S (DK) 2024-02-01 US disclosed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP disclosed
EP-4228761-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS University College Cardiff Consultants Limited (GB) 2023-08-23 EP disclosed
EP-4217065-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Saniona A/S (DK) 2023-08-02 EP disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
CN-101918392-A Pyrazole derivatives as 5-LO inhibitors PFIZER 2010-12-15 CN disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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 (5 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-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 CYP1A2 4391/4885CYP2D6 3524/4885CYP2C9 3549/4885
US-20240034717-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN2, KCNJ2, KCNN1 CYP1A2 4221/4885CYP2D6 4191/4885CYP2C9 4588/4885
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS GABRA2, GABRA3, GABRB2 CYP1A2 181/4885CYP2D6 618/4885CYP2C9 834/4885
US-20240366614-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 CYP1A2 2163/4885CYP2D6 2935/4885CYP2C9 3688/4885
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 CYP1A2 24/4885CYP2D6 42/4885CYP2C9 36/4885

“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.