SCHEMBL10286160

SCHEMBL10286160

CC(=O)OC1CCCc2ccc(Br)nc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.39
DRD2 P14416 5/20 0.39
HTR7 P34969 5/20 0.39
CYP19A1 P11511 10/20 0.36
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 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
SCHEMBL30484353 1.00 CHRM4 (0.39) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL22852087 0.92 CHRM4 (0.37) CHRM4DRD2HTR7CYP19A1HTR2C
SCHEMBL10286027 0.84 CHRM4 (0.39) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL10286040 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL14885005 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL30694265 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL10286793 0.81 CHRM4 (0.38) CHRM4DRD2HTR7CYP19A1
SCHEMBL10286028 0.79 CHRM4 (0.41) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL14885003 0.79 CHRM4 (0.41) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL4066821 0.78 HTR2A (0.32) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 CN disclosed
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 US disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
WO-2020259724-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 上海医药集团股份有限公司 2020-12-30 WO disclosed
CN-112142748-A Pyrazolone pyrimidine compound, preparation method and application thereof 上海医药集团股份有限公司 2020-12-29 CN disclosed
CN-105884752-B And ring class gyrase and topoisomerase I V inhibitor 山东轩竹医药科技有限公司 2018-08-31 CN disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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 (2 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-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 CHRM4 4809/4885DRD2 4557/4885HTR7 2317/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO CHRM4 299/4885DRD2 149/4885HTR7 2466/4885

“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.