SCHEMBL21289906

SCHEMBL21289906

O=C(Nc1ccc(Cl)cc1)NC1CC2(CCC(c3ccnc4ccc(F)cc34)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.63
TDO2 P48775 11/20 0.61
CYP2C9 P11712 4/20 0.61
CYP2C8 P10632 4/20 0.61
CYP3A4 P08684 1/20 0.60
KCNH2 Q12809 1/20 0.60
CHRNA1 P02708 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL17730005 0.89 IDO1 (0.72) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17730064 0.89 IDO1 (0.72) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL17730004 0.89 IDO1 (0.72) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL19555628 0.88 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL19576471 0.88 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20935274 0.87 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20919177 0.87 IDO1 (0.62) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20935276 0.87 IDO1 (0.62) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL20935374 0.87 IDO1 (0.63) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289246 0.86 IDO1 (0.64) 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 4 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
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.