SCHEMBL21836475

SCHEMBL21836475

CCOC(=O)C(CC)C1CCC(c2ccnc3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.45
NR1I2 O75469 3/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK7 Q13164 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNA1 P02708 1/20 0.38
TDO2 P48775 1/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL21836477 1.00 IDO1 (0.45) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL20555905 0.92 IDO1 (0.53) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL17730141 0.92 IDO1 (0.53) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL17730140 0.92 IDO1 (0.53) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL21836552 0.89 IDO1 (0.47) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL21836551 0.89 IDO1 (0.47) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL17747206 0.86 IDO1 (0.43) IDO1CYP3A4THRBALDH1A1GAA
SCHEMBL17747209 0.86 IDO1 (0.43) IDO1CYP3A4THRBALDH1A1GAA
SCHEMBL23801454 0.84 IDO1 (0.51) IDO1NR1I2CYP2C8CYP2C9CYP2C19
SCHEMBL19900635 0.84 IDO1 (0.51) IDO1NR1I2CYP2C8CYP2C9CYP2C19

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 1/4885NR1I2 2606/4885CYP2C8 715/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885NR1I2 2606/4885CYP2C8 715/4885

“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.