SCHEMBL17730140

SCHEMBL17730140

CCOC(=O)C(CC)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.53
CYP2C9 P11712 4/20 0.53
NR1I2 O75469 3/20 0.53
CYP2C8 P10632 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TDO2 P48775 2/20 0.45
CHRNA1 P02708 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL20555905 1.00 IDO1 (0.53) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL17730141 1.00 IDO1 (0.53) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL21836475 0.92 IDO1 (0.45) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL21836477 0.92 IDO1 (0.45) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL23801454 0.92 IDO1 (0.51) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL19900635 0.92 IDO1 (0.51) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL21836548 0.89 IDO1 (0.55) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL17730122 0.89 IDO1 (0.55) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL17730120 0.89 IDO1 (0.55) IDO1CYP2C9NR1I2CYP2C8CYP3A4
SCHEMBL17729117 0.87 IDO1 (0.56) IDO1CYP2C9CYP2C8CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-07 US disclosed
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 US disclosed
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-16 US disclosed
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2020-03-26 US disclosed
EP-3503891-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-07-03 EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 US disclosed
WO-2018039512-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-01 WO disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 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 (10 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885NR1I2 1752/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885NR1I2 1752/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885NR1I2 1752/4885
US-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2152/4885NR1I2 2516/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885NR1I2 1752/4885
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2152/4885NR1I2 2516/4885
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2175/4885NR1I2 2606/4885
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2175/4885NR1I2 2606/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2175/4885NR1I2 2606/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2175/4885NR1I2 2606/4885

“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.