SCHEMBL17740948

SCHEMBL17740948

CC(C)C(C(=O)Nc1ccc(Cl)cc1)N1CCC(Oc2ccnc3ccc(F)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.64
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C8 P10632 1/20 0.55
TDO2 P48775 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL23680441 0.92 IDO1 (0.61) IDO1
SCHEMBL17729160 0.92 IDO1 (0.66) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL18806801 0.88 IDO1 (0.69) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL18806746 0.86 IDO1 (0.68) IDO1
SCHEMBL23680443 0.86 IDO1 (0.56) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL17729183 0.84 IDO1 (0.62) IDO1
SCHEMBL18806773 0.84 IDO1 (0.63) IDO1
SCHEMBL23707411 0.83 IDO1 (0.66) IDO1CYP2C9CYP3A4CYP2C8TDO2
SCHEMBL28544986 0.82 IDO1 (0.54) IDO1CYP3A4
SCHEMBL24018264 0.81 IDO1 (0.90) IDO1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643972-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-05-09 US claimed
EP-3854394-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2021-07-28 EP disclosed
CN-107427499-B Immunomodulator 弗莱塞斯生物科学公司 2021-04-16 CN disclosed
EP-3215153-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2020-12-23 EP disclosed
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-20190002472-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2019-01-03 US disclosed
US-10106546-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2018-10-23 US disclosed
US-20180282281-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-10-04 US disclosed
US-20170197973-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-07-13 US disclosed
US-20170197973-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-07-13 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
WO-2016073770-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 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 (5 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-10106546-B2 Immunoregulatory agents IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885
US-20180282281-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885CYP2C9 2655/4885CYP3A4 1482/4885
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.