SCHEMBL1018316

SCHEMBL1018316

FC(F)(F)c1ccc(CBr)c(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
PTPN5 P54829 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 3/20 0.36
HTR2A P28223 3/20 0.36
PDE2A O00408 2/20 0.36
HTR2B P41595 2/20 0.36
SLC6A4 P31645 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CES2 O00748 2/20 0.35
DAO P14920 3/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL30149710 1.00 IDO1 (0.43) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL22728419 0.88 ESR1 (0.43) IDO1PTPN1GSK3BCYP3A4CYP2D6
SCHEMBL29382636 0.83 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL475304 0.83 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL30030832 0.83 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5HTR2C
SCHEMBL627838 0.83 DAO (0.46) IDO1PTPN1GSK3BSLC6A4CES2
SCHEMBL1775557 0.83 CES2 (0.46) IDO1PTPN1GSK3BPTPN5CYP3A4
SCHEMBL268985 0.83 IDO1 (0.58) IDO1PTPN1GSK3BPTPN5PDE2A
SCHEMBL1992103 0.83 IDO1 (0.41) IDO1PTPN1GSK3BPTPN5HTR2C
SCHEMBL30638488 0.83 IDO1 (0.58) IDO1PTPN1GSK3BPTPN5PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2024-10-10 US disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
WO-2022269134-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2022-12-29 WO disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
EP-3558981-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS Orion Corporation (FI) 2019-10-30 EP disclosed
WO-2018115591-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION (FI) 2018-06-28 WO disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed
US-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-08-10 US disclosed
EP-1606280-A2 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co. Inc. (US) 2005-12-21 EP disclosed
WO-2004082616-A2 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO. INC. (US) 2004-09-30 WO disclosed
US-4217302-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1980-08-12 US disclosed
US-4189598-A INSECTICIDES., MITICIDE ZOECON CORPORATION (US) 1980-02-19 US disclosed
US-4178293-A Isoindolinyl derivatives ZOECON CORPORATION (US) 1979-12-11 US 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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 IDO1 874/4885PTPN1 1151/4885GSK3B 1042/4885
US-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF CYP11B1, CYP4A11, CYP19A1 IDO1 611/4885PTPN1 2556/4885GSK3B 848/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 IDO1 874/4885PTPN1 1151/4885GSK3B 1042/4885
US-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity CCR1, CCR2, CCR5 IDO1 1065/4885PTPN1 1226/4885GSK3B 3844/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 IDO1 874/4885PTPN1 1151/4885GSK3B 1042/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 IDO1 917/4885PTPN1 1355/4885GSK3B 1181/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 IDO1 874/4885PTPN1 1151/4885GSK3B 1042/4885
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol GPR119, GIPR, EBP IDO1 246/4885PTPN1 3104/4885GSK3B 205/4885

“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.