SCHEMBL4698252

SCHEMBL4698252

CC(C)(C)OC(=O)n1c(Cl)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR1H2 P55055 7/20 0.44
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NR1H3 Q13133 2/20 0.41
GAA P10253 2/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL368032 0.85 CYP1A2 (0.45) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL14838247 0.84 CYP1A2 (0.47) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL133464 0.84 ALDH1A1 (0.57) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL14300652 0.83 CYP1A2 (0.46) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL6737502 0.83 BRD4 (0.42) SMN1; SMN2NR1H2CNR2ALDH1A1MAPT
SCHEMBL4065436 0.82 CNR2 (0.46) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL25168045 0.82 L3MBTL1 (0.46) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL3447293 0.82 CNR2 (0.46) SMN1; SMN2L3MBTL1NR1H2CNR2ALDH1A1
SCHEMBL25736832 0.82 L3MBTL1 (0.46) L3MBTL1NR1H2CNR2ALDH1A1MAPT
SCHEMBL17329317 0.82 NPC1 (0.56) SMN1; SMN2L3MBTL1NR1H2CNR2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
US-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2024-08-22 US disclosed
CN-112313222-B Tetrahydroisoquinoline derivative, preparation method and application thereof 浙江海正药业股份有限公司 2024-01-26 CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed
EP-4129406-A1 NOVEL BENZIMIDAZOLE DERIVATIVE Carna Biosciences, Inc. (JP) 2023-02-08 EP disclosed
US-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-12 US disclosed
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-09-09 US disclosed
CN-112313222-A Tetrahydroisoquinoline derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2021-02-02 CN disclosed
EP-3353167-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-06-24 EP disclosed
WO-2019242599-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2019-12-26 WO disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
EP-1087962-A1 PREPARATION OF HETEROARYL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-04-04 EP disclosed
EP-0977740-A4 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC (US) 2001-01-17 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
EP-0977740-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR, INC. (US) 2000-02-09 EP disclosed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 WO disclosed
WO-1999065896-A1 PREPARATION OF HETEROARYL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
WO-1998046571-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC. (US) 1998-10-22 WO disclosed
US-5817823-A ALKYLATION OF AN IMIDAZOLE COMPOUND; COUPLING WITH NUCLEOPHILIC COMPOUND SEPRACOR INC. (US) 1998-10-06 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-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof AGTR2, AGTR1, AVPR2 SMN1; SMN2 4751/4885L3MBTL1 4864/4885NR1H2 228/4885
US-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE STING1, IRF3, TBK1 SMN1; SMN2 2934/4885L3MBTL1 1430/4885NR1H2 3318/4885
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 SMN1; SMN2 4751/4885L3MBTL1 4864/4885NR1H2 228/4885

“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.