SCHEMBL22274304

SCHEMBL22274304

O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.53
TDO2 P48775 6/20 0.53
CYP2C9 P11712 3/20 0.44
CYP2C8 P10632 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKA O14965 2/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
LCK P06239 1/20 0.42
IGF1R P08069 1/20 0.42
EIF2AK2 P19525 1/20 0.42
SYK P43405 1/20 0.42
BMX P51813 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL20935339 0.94 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL29860061 0.91 IDO1 (0.64) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289646 0.91 IDO1 (0.64) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274754 0.91 IDO1 (0.64) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274807 0.91 IDO1 (0.64) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289836 0.89 IDO1 (0.51) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL21289773 0.88 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL31241547 0.88 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274274 0.88 IDO1 (0.53) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22274711 0.86 IDO1 (0.55) 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 2 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-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. 2020-07-30 US 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 (2 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-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS IDO1, IDO2, INMT IDO1 1/4885TDO2 109/4885CYP2C9 2874/4885
US-11180497-B2 Cyclic compounds as immunomodulating agents IDO1, IDO2, INMT IDO1 1/4885TDO2 65/4885CYP2C9 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.