SCHEMBL20852663

SCHEMBL20852663

C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCC(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ TDO2 P48775 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GRIN2B Q13224 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ KLK7 P49862 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL17737122 1.00 IDO1 (0.51) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17737121 1.00 IDO1 (0.51) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL20838723 1.00 IDO1 (0.51) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL20838737 0.87 IDO1 (0.58) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17737066 0.87 IDO1 (0.58) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17737538 0.87 IDO1 (0.58) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL20838632 0.85 KLK7 (0.53) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17737340 0.85 KLK7 (0.53) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL20852665 0.85 KLK7 (0.53) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL20838700 0.84 GRIA1 (0.46) IDO1EPHX2ALDH1A1

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-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 — — US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 — — 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885

“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.

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