SCHEMBL20935276

SCHEMBL20935276

O=C(N[C@H]1CC2(CC[C@H](c3ccnc4ccc(F)cc43)CC2)C1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.62
CYP2C9 P11712 5/20 0.62
CYP2C8 P10632 3/20 0.62
CHRNA1 P02708 1/20 0.62
CYP2C19 P33261 1/20 0.62
TDO2 P48775 5/20 0.54
CYP3A4 P08684 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL20919177 1.00 IDO1 (0.62) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL21289866 0.94 IDO1 (0.54) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL21289839 0.91 IDO1 (0.51) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL20935377 0.91 IDO1 (0.50) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL17742817 0.88 IDO1 (0.71) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL17742822 0.88 IDO1 (0.71) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL17746263 0.88 IDO1 (0.71) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL20935376 0.88 IDO1 (0.56) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL22274350 0.88 IDO1 (0.56) IDO1CYP2C9CYP2C8CHRNA1CYP2C19
SCHEMBL21289906 0.87 IDO1 (0.63) IDO1CYP2C9CYP2C8CHRNA1CYP2C19

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 5 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-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-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. 2020-07-30 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-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 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-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 IDO1 1/4885CYP2C9 258/4885CYP2C8 180/4885
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2874/4885CYP2C8 1945/4885
US-11180497-B2 Cyclic compounds as immunomodulating agents IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2445/4885CYP2C8 1822/4885

“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.