SCHEMBL21836466

SCHEMBL21836466

CCC(C(=O)O)C1CCC(c2ccn(C)c(=O)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
SLC18A3 Q16572 2/20 0.36
SCD O00767 2/20 0.35
ASAH1 Q13510 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
CCR2 P41597 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PRCP P42785 1/20 0.33
DRD2 P14416 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FABP4 P15090 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
REN P00797 1/20 0.32
KCNH2 Q12809 1/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL21836618 0.87 IDO1 (0.35) IDO1SLC18A3SCDASAH1PIK3C3
SCHEMBL21836585 0.81 IDO1 (0.34) IDO1SLC18A3SCDASAH1PIK3C3
SCHEMBL21475943 0.79 QDPR (0.41) SLC18A3SCDPIK3C3DRD2HRH3
SCHEMBL21836497 0.79 IDO1 (0.57) IDO1
SCHEMBL1171605 0.77 SLC18A3 (0.47) SLC18A3PRCPDRD2HRH3KCNH2
SCHEMBL4976355 0.77 SLC18A3 (0.47) SLC18A3PRCPDRD2HRH3KCNH2
SCHEMBL600742 0.74 ESR2 (0.49) CYP2C9
SCHEMBL4975063 0.73 IDO1 (0.48) IDO1PRCPDRD2CYP2C9HIF1A
SCHEMBL3900477 0.73 IDO1 (0.48) IDO1PRCPDRD2CYP2C9HIF1A
SCHEMBL6270743 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2020-03-26 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 (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-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885SLC18A3 1887/4885SCD 509/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885SLC18A3 1887/4885SCD 509/4885

“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.