SCHEMBL6153356

SCHEMBL6153356

BrCCCC(OC(CCCBr)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.38
HTR2A P28223 4/20 0.38
SLC6A4 P31645 3/20 0.37
SLC7A5 Q01650 7/20 0.36
SIGMAR1 Q99720 1/20 0.36
GSR P00390 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL4590208 0.94 SIGMAR1 (0.39) HRH1HTR2ASLC6A4SLC7A5SIGMAR1
SCHEMBL27654798 0.92 SLC7A5 (0.40) HRH1HTR2ASLC6A4SLC7A5SIGMAR1
SCHEMBL3053696 0.87 SLC6A4 (0.39) HRH1HTR2ASLC6A4GSRCYP1A2
SCHEMBL28973810 0.79 SLC7A5 (0.43) HRH1HTR2ASLC6A4SLC7A5SLC6A2
SCHEMBL16872478 0.79 HRH1 (0.38) HRH1HTR2ASLC6A4SLC7A5TSHR
SCHEMBL7453749 0.79 POLB (0.44) HRH1HTR2ASLC6A4SLC7A5SIGMAR1
SCHEMBL9174451 0.78 HTR2A (0.39) HRH1HTR2ASLC6A4GSRTSHR
SCHEMBL904449 0.78 HRH1 (0.60) HRH1HTR2ASLC6A4SIGMAR1CYP1A2
SCHEMBL1459570 0.78 SLC7A5 (0.44) HTR2ASLC6A4SLC7A5SIGMAR1OPRM1
SCHEMBL8048483 0.76 HTR2A (0.44) HTR2ASLC7A5SIGMAR1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047938-B 2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors 北京泰德制药股份有限公司 2022-11-22 CN disclosed
CN-113906026-A 2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors 北京泰德制药股份有限公司 2022-01-07 CN disclosed
CN-112047938-A 2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors 北京泰德制药股份有限公司 2020-12-08 CN disclosed
US-20050165057-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-07-28 US disclosed
EP-1500648-A1 NOVEL PIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (1 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-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT HRH1 852/4885HTR2A 4574/4885SLC6A4 2191/4885

“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.