SCHEMBL20898567

SCHEMBL20898567

CCCC(=O)NC1(c2ccc(Br)cc2)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
IDO1 P14902 1/20 0.35
DPP4 P27487 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL20898569 0.89 WDR91 (0.39) FPR3FPR2IDO1KMT2AALDH1A1
SCHEMBL20898401 0.82 FPR3 (0.40) HDAC1FPR3FPR2IDO1KMT2A
SCHEMBL19331016 0.81 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC7HDAC8
SCHEMBL19343359 0.76 NPC1 (0.40) HDAC3HDAC1HDAC2HDAC7HDAC8
SCHEMBL20898563 0.75 IDO1 (0.53) IDO1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5738000 0.73 SMN1; SMN2 (0.47) HDAC1KMT2AALDH1A1RAB9AMEN1
SCHEMBL30016113 0.72 CTSL (0.40) KMT2AALDH1A1RAB9AMEN1LMNA
SCHEMBL29348805 0.69 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC7HDAC8
SCHEMBL2718047 0.68 WDR91 (0.44) HDAC3HDAC1HDAC2HDAC7HDAC8
SCHEMBL19343247 0.68 PHGDH (0.69) PDE2APDE10AP2RX7

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 7 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
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 HDAC3 817/4885HDAC1 330/4885HDAC2 395/4885
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT HDAC3 786/4885HDAC1 387/4885HDAC2 435/4885

“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.