SCHEMBL21034705

SCHEMBL21034705

CCOC(=O)CCN1CCC(c2ccnc3ccc(F)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.49
TDO2 P48775 8/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C8 P10632 3/20 0.49
CHRNA1 P02708 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL22495959 0.86 IDO1 (0.54) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21836426 0.82 IDO1 (0.52) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL30209409 0.82 IDO1 (0.52) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL17729178 0.82 IDO1 (0.52) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21000978 0.81 IDO1 (0.55) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21265978 0.80 IDO1 (0.49) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL30495391 0.79 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21213988 0.79 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL21265908 0.78 IDO1 (0.47) IDO1TDO2CYP2C9CYP2C8CHRNA1
SCHEMBL28682421 0.78 IDO1 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases BEIGENE, LTD. (KY) 2022-10-18 US disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 US 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
WO-2019101188-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (GB) 2019-05-31 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 (2 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-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO2, IDO1, TPH2 IDO1 2/4885TDO2 6/4885CYP2C9 304/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 IDO1 1/4885TDO2 5/4885CYP2C9 180/4885

“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.