SCHEMBL20898569

SCHEMBL20898569

CCCC(=O)NC1(c2ccc(Br)cc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 4/20 0.39
IDO1 P14902 1/20 0.38
NAMPT P43490 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
PHGDH O43175 3/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL20898567 0.89 HDAC3 (0.39) IDO1FPR3FPR2RAB9AGSK3B
SCHEMBL20898401 0.84 FPR3 (0.40) IDO1FPR3FPR2RAB9AGSK3B
SCHEMBL2718047 0.79 WDR91 (0.44) WDR91PHGDHGAAALDH1A1MAPK1
SCHEMBL5738000 0.74 SMN1; SMN2 (0.47) RAB9AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL10215887 0.73 NPC1 (0.44) WDR91FPR3FPR2RAB9AGAA
SCHEMBL23343882 0.73 POLB (0.43) WDR91RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL20899529 0.72 IDO1 (0.58) IDO1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28592565 0.71 HPGD (0.39) WDR91FPR3FPR2GAAMEN1
SCHEMBL23908270 0.70 WDR91 (0.56) WDR91SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29348805 0.70 HDAC1 (0.44) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694506-B1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
EP-3694506-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-30 US disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 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 (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-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT WDR91 2420/4885IDO1 1/4885NAMPT 161/4885
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT WDR91 2395/4885IDO1 1/4885NAMPT 138/4885

“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.