SCHEMBL3702219

SCHEMBL3702219

CCc1c[nH]c(C(C)C)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.30

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
SCHEMBL3702569 0.83 BACE1 (0.33)
SCHEMBL1452116 0.81
SCHEMBL9889780 0.81
SCHEMBL18253594 0.81 NOS3 (0.36) ESR1
SCHEMBL24688166 0.79 KCNH2 (0.43)
SCHEMBL8528800 0.78
SCHEMBL10754466 0.78 HTR1D (0.35)
SCHEMBL25006844 0.77 GPR84 (0.39)
SCHEMBL11961153 0.75 POLB (0.39)
SCHEMBL3002699 0.75 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240025913-A1 TERTIARY CARBOXAMIDE COMPOUNDS VIVACE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230015914-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-01-19 US disclosed
US-11377431-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2022-07-05 US disclosed
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-04-14 US disclosed
WO-2021216665-A9 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-12-02 WO disclosed
WO-2021216665-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-10-28 WO disclosed
US-11124537-B2 Inhibitors of glucocorticoid receptor ORIC PHARMACEUTICALS, INC. (US) 2021-09-21 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 WO disclosed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO disclosed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US disclosed
EP-0332075-B1 PROCESS FOR THE PREPARATION OF ACYLATED IMIDAZOLES BASF Aktiengesellschaft (DE) 1993-06-02 EP disclosed
EP-0300324-B1 PROCESS FOR THE PRODUCTION OF ACYLATED IMIDAZOLES AND PYRAZOLES BASF Aktiengesellschaft (DE) 1992-07-22 EP disclosed
US-4924000-A Preparation of acylated imidazoles BASF AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
EP-0332075-A1 Process for the preparation of acylated imidazoles BASF Aktiengesellschaft (DE) 1989-09-13 EP disclosed
US-4056108-A IMIDAZOLE OR BENZIMIDAZOLE, FLAVOR ENHANCERS R. J. REYNOLDS TOBACCO COMPANY (US) 1977-11-01 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 (8 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ESR1 2953/4885
US-11124537-B2 Inhibitors of glucocorticoid receptor NR3C1, NR3C2, MC2R ESR1 190/4885
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS MGLL, LIPA, PNLIP ESR1 4824/4885
US-20240025913-A1 TERTIARY CARBOXAMIDE COMPOUNDS YAP1, TFAM, PC ESR1 1685/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM ESR1 4173/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 ESR1 1925/4885
US-20230015914-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R ESR1 1856/4885
US-11377431-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF ESR1 2072/4885

“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.