SCHEMBL21836618

SCHEMBL21836618

CCOC(=O)C(CC)C1CCC(c2ccn(C)c(=O)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
REN P00797 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC18A3 Q16572 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCD O00767 1/20 0.33
ASAH1 Q13510 1/20 0.33

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
SCHEMBL21836466 0.87 IDO1 (0.37) IDO1RENKCNH2SLC18A3CYP2C9
SCHEMBL21836577 0.80 IDO1 (0.54) IDO1KDM4ECYP2D6
SCHEMBL21836585 0.78 IDO1 (0.34) IDO1SLC18A3SCDASAH1HRH3
SCHEMBL21475943 0.76 QDPR (0.41) SLC18A3SCDHRH3PIK3C3
SCHEMBL21836592 0.75 PIK3C3 (0.36) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL19900620 0.72 HDAC4 (0.42) IDO1KCNH2ALDH1A1GAANPSR1
SCHEMBL17730048 0.70 SHBG (0.48) ALDH1A1GAANPSR1CYP2D6
SCHEMBL29525633 0.70 SHBG (0.48) ALDH1A1GAANPSR1CYP2D6
SCHEMBL17730047 0.70 SHBG (0.48) ALDH1A1GAANPSR1CYP2D6
SCHEMBL17729969 0.70 CYP1A2 (0.41) KDM4EALDH1A1CYP1A2CYP2C9MEN1

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 1/4885REN 2434/4885KCNH2 4487/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885REN 2434/4885KCNH2 4487/4885

“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.