SCHEMBL21034429

SCHEMBL21034429

C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.71
CYP2C9 P11712 3/20 0.68
CYP2C8 P10632 2/20 0.68
CYP3A4 P08684 1/20 0.68
TDO2 P48775 1/20 0.68
KCNH2 Q12809 1/20 0.68
CHRNA1 P02708 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL19554715 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL29618934 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL17742814 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL22693431 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL17747163 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL17747162 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL17747169 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL20620600 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL20620599 1.00 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2
SCHEMBL22809002 0.91 IDO1 (0.71) IDO1CYP2C9CYP2C8CYP3A4TDO2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655264-B Substituted quinolinyl cyclohexyl propionamide compounds and improved methods of making the same 百时美施贵宝公司 2023-08-15 CN disclosed
CN-111527069-B Quinoline derivatives 成都华健未来科技有限公司 2023-08-08 CN disclosed
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
CN-111093651-B Amorphous and crystalline forms of IDO inhibitors 百时美施贵宝公司 2023-06-06 CN disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
WO-2020233677-A1 PROCESS FOR PREPARING AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS BEIGENE (BEIJING) CO., LTD. (CN) 2020-11-26 WO disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
WO-2019196780-A1 NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 信达生物制药(苏州)有限公司 2019-10-17 WO disclosed
WO-2019144781-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 北京诺诚健华医药科技有限公司 2019-08-01 WO disclosed
WO-2019101188-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (GB) 2019-05-31 WO disclosed
WO-2017192813-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 WO disclosed
WO-2017192844-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 WO disclosed
WO-2017192840-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 WO disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 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 (1 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-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 477/4885CYP2C8 706/4885

“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.