SCHEMBL2774476

SCHEMBL2774476

Fc1ccc2c(CBr)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
DRD2 P14416 6/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2A P28223 5/20 0.40
HTR7 P34969 5/20 0.40
HTR6 P50406 5/20 0.40
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL9688702 0.86 MAPT (0.41) ACHEDRD2SLC6A4HTR3A
SCHEMBL7539608 0.83 DRD2 (0.47) DRD2HTR2AHTR7HTR6
SCHEMBL24410388 0.82 DRD2 (0.47) ACHEDRD2SLC6A4HTR2AHTR7
SCHEMBL19141702 0.82 ACHE (0.42) ACHEDRD2SLC6A4HTR2AHTR7
SCHEMBL3523748 0.80 ACHE (0.45) ACHE
SCHEMBL5450472 0.79 DRD2 (0.43) ACHEDRD2SLC6A4HTR2AHTR7
SCHEMBL9688281 0.79 ALDH1A1 (0.42) ACHECHRNA7HTR3A
SCHEMBL4406390 0.79 MAPT (0.46) CHRNA7HTR3A
SCHEMBL7093631 0.78 ACHE (0.39) ACHEDRD2SLC6A4HTR2AHTR7
SCHEMBL19142287 0.78 MAPT (0.39) ACHEDRD2SLC6A4HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
EP-3192792-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Vigonvita Life Sciences Co., Ltd. (CN) 2017-07-19 EP disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP 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-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN ACHE 166/4885DRD2 1346/4885SLC6A4 544/4885
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, ALDH7A1, HADHB ACHE 1454/4885DRD2 4432/4885SLC6A4 657/4885

“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.