SCHEMBL9005016

SCHEMBL9005016

CC(C)N1CC[C@H](CO)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
KCNH2 Q12809 1/20 0.33
LIPE Q05469 1/20 0.32
GBA1 P04062 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL2737373 1.00 HRH3 (0.42) HRH3KCNH2LIPEGBA1BRD4
SCHEMBL2737426 1.00 HRH3 (0.42) HRH3KCNH2LIPEGBA1BRD4
SCHEMBL10017898 0.88 LIPE (0.39) HRH3KCNH2LIPE
SCHEMBL10017897 0.88 LIPE (0.39) HRH3KCNH2LIPE
SCHEMBL1789883 0.88 LIPE (0.39) HRH3KCNH2LIPE
SCHEMBL2943697 0.86 HRH3 (0.51) HRH3KCNH2
SCHEMBL25124984 0.86 LIPE (0.35) HRH3KCNH2LIPEGBA1
SCHEMBL19730657 0.83 HRH3 (0.38) HRH3KCNH2BRD4
SCHEMBL17776661 0.83 HRH3 (0.38) HRH3KCNH2BRD4
SCHEMBL26703137 0.83 HRH3 (0.38) HRH3KCNH2BRD4

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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20220213065-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
WO-2021252678-A1 HETEROARYL ALKYLENE SUBSTITUTED 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed
US-10669262-B2 Aminopyrazine diol compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2020-06-02 US disclosed
US-20190276435-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-09-12 US disclosed
US-20190263799-A1 1H-IMIDAZO[4,5-B]PYRIDINYL AND 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDINYL HETEROCYCLIC BET BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2019-08-29 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO disclosed
US-9365583-B2 Substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2016-06-14 US disclosed
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2015-06-25 US disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 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 (9 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 HRH3 4374/4885KCNH2 3492/4885LIPE 4589/4885
US-10669262-B2 Aminopyrazine diol compounds as PI3K-γ inhibitors PIK3CD, PIK3R5, PIK3CG HRH3 2516/4885KCNH2 1238/4885LIPE 3861/4885
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 HRH3 1790/4885KCNH2 1162/4885LIPE 4081/4885
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 HRH3 1407/4885KCNH2 1891/4885LIPE 3792/4885
US-20190276435-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG HRH3 2830/4885KCNH2 1077/4885LIPE 3878/4885
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP HRH3 4079/4885KCNH2 4785/4885LIPE 4214/4885
US-20220213065-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG HRH3 2830/4885KCNH2 1077/4885LIPE 3878/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP HRH3 4079/4885KCNH2 4785/4885LIPE 4214/4885
US-20190263799-A1 1H-IMIDAZO[4,5-B]PYRIDINYL AND 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDINYL HETEROCYCLIC BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HRH3 661/4885KCNH2 2399/4885LIPE 4495/4885

“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.