SCHEMBL7964040

SCHEMBL7964040

Fc1ccc2nccc(C3CCNCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.56
HTR6 P50406 1/20 0.49
TDO2 P48775 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C8 P10632 3/20 0.48
CHRNA1 P02708 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL21138081 0.95 IDO1 (0.52) IDO1HTR6TDO2CYP2C9CYP2C8
SCHEMBL21138095 0.88 HTR6 (0.49) IDO1HTR6HTR1ASLC6A2SLC6A4
SCHEMBL19570379 0.85 IDO1 (0.60) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL22568468 0.85 IDO1 (0.58) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL28440312 0.84 IDO1 (0.54) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21289890 0.82 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL22568425 0.82 IDO1 (0.51) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21289867 0.82 IDO1 (0.54) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21138139 0.82 IDO1 (0.52) IDO1HTR6TDO2CYP2C9CYP2C8
SCHEMBL20620323 0.82 IDO1 (0.56) IDO1TDO2CYP2C9CYP2C8CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384502-B Cycloalkyl-substituted amide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2022-11-08 CN disclosed
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases BEIGENE, LTD. (KY) 2022-10-18 US disclosed
CN-112384502-A Cycloalkyl-substituted amide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2021-02-19 CN disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
EP-3724177-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-10-21 EP disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 US disclosed
CN-111386114-A Novel benzimidazoles as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2020-07-07 CN disclosed
CN-109956927-A Benzimidazoles derivative, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-07-02 CN disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
WO-2019101188-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (GB) 2019-05-31 WO disclosed
WO-2019101188-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (GB) 2019-05-31 WO disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP 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 (3 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885HTR6 808/4885TDO2 7/4885
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO2, IDO1, TPH2 IDO1 2/4885HTR6 47/4885TDO2 6/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 IDO1 1/4885HTR6 67/4885TDO2 5/4885

“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.