SCHEMBL21034183

SCHEMBL21034183

O=C(O)CC1CCN(c2ccnc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
KCNH2 Q12809 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
PDGFRB P09619 1/20 0.48
F10 P00742 2/20 0.47
AKT1 P31749 1/20 0.47
PDE10A Q9Y233 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FFAR4 Q5NUL3 3/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL21034181 0.85 ADRB2 (0.49) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL18980470 0.84 DRD2 (0.52) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL6186822 0.84 ADRB2 (0.62) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL17729186 0.83 CHRM4 (0.53) ALDH1A1FFAR4
SCHEMBL19000116 0.83 ADRB2 (0.57) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL1729014 0.82 DRD2 (0.52) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL29722401 0.81 ADRB2 (0.58) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL18980471 0.81 ADRB2 (0.58) ADRB2NCF1KCNH2DRD2DRD3
SCHEMBL17729123 0.81 FAAH (0.58) ALDH1A1
Hydrochloric Acid SCHEMBL29722226 0.80 ADRB2 (0.57) ADRB2NCF1KCNH2DRD2DRD3

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 ADRB2 500/4885NCF1 1641/4885KCNH2 3467/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 ADRB2 779/4885NCF1 1665/4885KCNH2 3580/4885

“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.