SCHEMBL21289905

SCHEMBL21289905

O=C(Nc1ccc(F)cc1)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.55
TDO2 P48775 10/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C8 P10632 2/20 0.55
CYP3A4 P08684 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL22274712 1.00 IDO1 (0.55) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL29859909 1.00 IDO1 (0.55) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274711 1.00 IDO1 (0.55) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274784 0.94 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274713 0.94 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274785 0.94 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20919211 0.94 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274752 0.94 IDO1 (0.51) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22554473 0.94 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20935316 0.94 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753926-B1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2024-10-09 EP disclosed
CN-111741946-B Indoleamine 2, 3-dioxygenase inhibitors and their use in medicine 厦门宝太生物科技股份有限公司 2022-09-23 CN 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-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
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-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE XIAMEN BIOTIME BIOTECHNOLOGY CO., LTD. (CN) 2020-10-22 US disclosed
CN-111741946-A Indoleamine 2, 3-dioxygenase inhibitors and their use in medicine 杭州阿诺生物医药科技有限公司 2020-10-02 CN disclosed
CN-111574442-A Preparation method of indoleamine 2, 3-dioxygenase inhibitor 杭州阿诺生物医药科技有限公司 2020-08-25 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 IDO1 1/4885TDO2 8/4885CYP2C9 154/4885
US-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 IDO1 1/4885TDO2 5/4885CYP2C9 258/4885
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine IDO1, IDO2, INMT IDO1 1/4885TDO2 8/4885CYP2C9 154/4885

“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.