SCHEMBL4772120

SCHEMBL4772120

Brc1ccc(C2=CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.46
▸ HTR1D P28221 1/20 0.40
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ MAPK14 Q16539 5/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL26560458 0.87 HTR1D (0.43) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL29551535 0.80 PIK3CD (0.43) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL932928 0.80 PIK3CD (0.45) HTR1DPIK3CDPIK3CAMAPK14CSNK1E
SCHEMBL18248008 0.80 PIK3CD (0.43) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL24196019 0.79 HTR1D (0.40) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL14320398 0.79 BACE1 (0.42) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL7143060 0.79 MAPK14 (0.52) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL27962016 0.79 HTR1D (0.40) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL14183094 0.79 MAPK14 (0.48) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL18857842 0.78 MAPK14 (0.47) HTR2CHTR1DPIK3CDPIK3CAMAPK14

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2025-06-05 — — US disclosed
EP-4486743-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-01-08 — — EP disclosed
CN-118765280-A RIP1 modulators, their preparation and use 维泰瑞隆有限公司 2024-10-11 — — CN disclosed
WO-2023160638-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-08-31 — — WO 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
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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 (6 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HTR2C 83/4885HTR1D 80/4885PIK3CD 3238/4885
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK3 HTR2C 4739/4885HTR1D 4370/4885PIK3CD 380/4885
US-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HTR2C 3733/4885HTR1D 3934/4885PIK3CD 1374/4885
US-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT HTR2C 757/4885HTR1D 1206/4885PIK3CD 2005/4885
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT HTR2C 864/4885HTR1D 1344/4885PIK3CD 1933/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTR2C 19/4885HTR1D 11/4885PIK3CD 3004/4885

“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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