SCHEMBL17762920

SCHEMBL17762920

C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCC(c2cnc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MITF O75030 1/20 0.41

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
SCHEMBL17747174 1.00 IDO1 (0.52) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17740942 1.00 IDO1 (0.52) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17740940 1.00 IDO1 (0.52) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17762841 1.00 IDO1 (0.52) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17741156 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL18806765 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17741159 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL22809128 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17729231 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17741161 0.90 IDO1 (0.54) IDO1CYP2C9CYP3A4CYP2C8TDO2

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
EP-3215153-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2020-12-23 — — EP disclosed
US-20190002472-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2019-01-03 — — US disclosed
US-20170197973-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-07-13 — — US disclosed
US-9643972-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-05-09 — — US disclosed
US-20160137652-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 — — 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 (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-20160137652-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885
US-20190002472-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885
US-20170197973-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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