SCHEMBL5255106

SCHEMBL5255106

CC(C)(C)OC(=O)N1CCCC(c2c[nH]c3ccccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
BRD4 O60885 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CREBBP Q92793 1/20 0.56
HSD11B1 P28845 4/20 0.53
ATM Q13315 1/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
HPGDS O60760 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 1/20 0.48
HTR1A P08908 2/20 0.48
USP30 Q70CQ3 1/20 0.47
CYP2D6 P10635 1/20 0.45
SCN9A Q15858 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL30834269 1.00 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.94 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL31295175 0.90 KDM4E (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL557776 0.87 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
Hydrochloric Acid SCHEMBL1703924 0.86 KDM4E (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL19972613 0.85 HSD11B1 (0.53) HSD11B1MTNR1AMTNR1BJAK2JAK1
SCHEMBL18440796 0.84 MTNR1A (0.76) KDM4EALDH1A1HSD11B1MTNR1AMTNR1B
SCHEMBL2010568 0.83 HSD11B1 (0.62) HSD11B1JAK2JAK1HPGDSUSP30
SCHEMBL3712908 0.83 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27201572 0.82 HSD11B1 (0.64) KDM4EBRD4ALDH1A1POLBCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP disclosed
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP disclosed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-09 US disclosed
US-6903112-B2 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-07 US disclosed
US-6767912-B2 SUCH AS 1-(PHENYLSULFONYL)-3-(PIPERIDIN-4-YL)-1H-INDAZOLE; FOR MOOD, MOTOR, OR COGNITIVE DISORDERS INCLUDING SCHIZOPHRENIA, ANXIETY, AND DEPRESSION WYETH 2004-07-27 US disclosed
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US disclosed
EP-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP disclosed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US disclosed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 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 (4 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-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A KDM4E 3142/4885BRD4 823/4885ALDH1A1 615/4885
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR3B KDM4E 2935/4885BRD4 877/4885ALDH1A1 790/4885
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP KDM4E 1293/4885BRD4 1574/4885ALDH1A1 1247/4885
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A KDM4E 3142/4885BRD4 823/4885ALDH1A1 615/4885

“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.