SCHEMBL19555643

SCHEMBL19555643

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
IDO1 P14902 18/20 0.48
CYP2C9 P11712 4/20 0.46
CYP2C8 P10632 3/20 0.46
TDO2 P48775 3/20 0.46
CHRNA1 P02708 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A4 P08684 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL22568444 0.89 ESR2 (0.50) ESR2IDO1CYP2C9CYP2C8TDO2
SCHEMBL21035078 0.89 IDO1 (0.53) IDO1CYP2C9CYP2C8TDO2CHRNA1
SCHEMBL22568428 0.87 ESR2 (0.48) ESR2IDO1CYP2C9CYP2C8TDO2
SCHEMBL22270940 0.86 IDO1 (0.44) IDO1CYP2C9CYP2C8TDO2CHRNA1
SCHEMBL22387541 0.86 IDO1 (0.44) IDO1CYP2C9CYP2C8TDO2CHRNA1
SCHEMBL22568421 0.85 ESR2 (0.47) ESR2IDO1CYP2C9CYP2C8TDO2
SCHEMBL18826850 0.85 ESR2 (0.53) ESR2JAK2JAK1
SCHEMBL22568435 0.84 ESR2 (0.49) ESR2JAK2JAK1
SCHEMBL22274820 0.83 ESR2 (0.51) ESR2IDO1CYP3A4JAK2JAK1
SCHEMBL22568188 0.83 ESR2 (0.47) ESR2IDO1CYP2C9CYP2C8TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180497-B2 Cyclic compounds as immunomodulating agents ANGEX PHARMACEUTICAL, INC. (US) 2021-11-23 US disclosed
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2021-09-07 US disclosed
US-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-18 US disclosed
US-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-18 US disclosed
EP-3753926-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-12-23 EP disclosed
EP-3753926-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-12-23 EP disclosed
US-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE XIAMEN BIOTIME BIOTECHNOLOGY CO., LTD. (CN) 2020-10-22 US disclosed
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. 2020-07-30 US disclosed
US-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
WO-2019158051-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR 中国科学院上海有机化学研究所 2019-08-22 WO disclosed
WO-2019141153-A1 INDOLAMINE 2,3-DIOXYGENASE INHIBITOR AND USE THEREOF 杭州阿诺生物医药科技有限公司 2019-07-25 WO disclosed
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
EP-3452029-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-03-13 EP disclosed
WO-2017192840-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 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 (7 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-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE IDO1, IDO2, INMT ESR2 2748/4885IDO1 1/4885CYP2C9 154/4885
US-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 ESR2 879/4885IDO1 1/4885CYP2C9 258/4885
US-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT ESR2 2060/4885IDO1 1/4885CYP2C9 2175/4885
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine IDO1, IDO2, INMT ESR2 2748/4885IDO1 1/4885CYP2C9 154/4885
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS IDO1, IDO2, INMT ESR2 3922/4885IDO1 1/4885CYP2C9 2874/4885
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ESR2 2060/4885IDO1 1/4885CYP2C9 2175/4885
US-11180497-B2 Cyclic compounds as immunomodulating agents IDO1, IDO2, INMT ESR2 4200/4885IDO1 1/4885CYP2C9 2445/4885

“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.