SCHEMBL21289239

SCHEMBL21289239

O=C(Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.53
TDO2 P48775 4/20 0.53
CYP2C9 P11712 3/20 0.52
CYP2C8 P10632 2/20 0.52
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.45
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 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
SCHEMBL21289874 0.87 IDO1 (0.54) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289240 0.86 IDO1 (0.52) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22808976 0.85 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL23130441 0.85 IDO1 (0.71) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17730078 0.85 IDO1 (0.71) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17730045 0.85 IDO1 (0.71) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17730044 0.85 IDO1 (0.71) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289873 0.84 IDO1 (0.47) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17741004 0.84 IDO1 (0.71) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17729195 0.84 IDO1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 IDO1 1/4885TDO2 5/4885CYP2C9 258/4885

“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.