SCHEMBL4747241

SCHEMBL4747241

FC(F)(F)c1cc(-c2cccnc2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
HPGDS O60760 1/20 0.54
CYP2A6 P11509 5/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2E1 P05181 2/20 0.49
NPY5R Q15761 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALK Q9UM73 1/20 0.44
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
CYP19A1 P11511 1/20 0.43
BTK Q06187 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
LRRK2 Q5S007 1/20 0.41
S1PR1 P21453 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
SCHEMBL31053637 1.00 CYP3A4 (0.54) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL10022697 0.84 CYP3A4 (0.54) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL14624000 0.81 RAB9A (0.55) ALDH1A1HPGDSKDM4E
SCHEMBL28207587 0.80 ALDH1A1 (0.61) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL4744555 0.80 KIF11 (0.44) IDO1LRRK2S1PR1
SCHEMBL27955857 0.77 ALDH1A1 (0.61) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL4745224 0.76 HPGDS (0.49) HPGDS
SCHEMBL3078162 0.76 CYP3A4 (0.89) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
SCHEMBL31081360 0.75 PIM1 (0.38) PIM1
SCHEMBL2870717 0.75 IDO1 (0.46) HPGDSIDO1

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
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US claimed
CN-110627723-A Trifluoromethyl pyrazole derivative and application thereof 中国医学科学院药用植物研究所 2019-12-31 CN claimed
US-20250214974-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2025-07-03 US disclosed
US-20250170101-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF PAIN AND RELATED CONDITIONS PSY THERAPEUTICS, INC. (US) 2025-05-29 US disclosed
US-20250170100-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF ANXIETY AND RELATED CONDITIONS PSY THERAPEUTICS, INC. (US) 2025-05-29 US disclosed
US-12286421-B2 Inhibiting monoacylglycerol lipase (MAGL) PSY THERAPEUTICS, INC. (US) 2025-04-29 US disclosed
US-20250084065-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2025-03-13 US disclosed
WO-2025010392-A2 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PSY THERAPEUTICS, INC. (US) 2025-01-09 WO disclosed
WO-2025010394-A2 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF INFLAMMATORY CONDITIONS PSY THERAPEUTICS, INC. (US) 2025-01-09 WO disclosed
EP-4457213-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) Psy Therapeutics, Inc. (US) 2024-11-06 EP disclosed
WO-2024215863-A2 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
US-20240308985-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2024-09-19 US disclosed
CN-110627723-B Trifluoromethyl pyrazole derivative and application thereof 中国医学科学院药用植物研究所 2024-07-05 CN disclosed
WO-2023130023-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023130050-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF PAIN PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023130043-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF ANXIETY PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
CN-110627723-A Trifluoromethyl pyrazole derivative and application thereof 中国医学科学院药用植物研究所 2019-12-31 CN disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 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 (8 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 CYP3A4 187/4885ALDH1A1 1738/4885CYP1A2 544/4885
US-20250214974-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) MGLL, PNLIP, LIPC CYP3A4 3685/4885ALDH1A1 1923/4885CYP1A2 2667/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 CYP3A4 183/4885ALDH1A1 1717/4885CYP1A2 541/4885
US-20250084065-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) MGLL, PNLIP, LPL CYP3A4 1664/4885ALDH1A1 762/4885CYP1A2 713/4885
US-12286421-B2 Inhibiting monoacylglycerol lipase (MAGL) MGLL, PNLIP, LIPC CYP3A4 3685/4885ALDH1A1 1923/4885CYP1A2 2667/4885
US-20250170101-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF PAIN AND RELATED CONDITIONS MGLL, PNLIP, LIPA CYP3A4 2551/4885ALDH1A1 1116/4885CYP1A2 1190/4885
US-20250170100-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF ANXIETY AND RELATED CONDITIONS MGLL, PNLIP, LIPA CYP3A4 3535/4885ALDH1A1 1075/4885CYP1A2 2223/4885
US-20240308985-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) MGLL, PNLIP, LIPC CYP3A4 3685/4885ALDH1A1 1923/4885CYP1A2 2667/4885

“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.