SCHEMBL805451

SCHEMBL805451

BN[C@@H]1CCc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PDPK1 O15530 1/20 0.41
PNMT P11086 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
IDO1 P14902 1/20 0.38
ACHE P22303 2/20 0.37
KDM1A O60341 2/20 0.35
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PDE1B Q01064 1/20 0.34
SRD5A1 P18405 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL30985322 0.86 PDPK1 (0.58) HTR2AHTR2CHTR2BPDPK1MAOA
SCHEMBL6497708 0.86 PDPK1 (0.58) HTR2AHTR2CHTR2BPDPK1MAOA
SCHEMBL484798 0.77 LMNA (0.44) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL19521127 0.76 PDPK1 (0.46) HTR2AHTR2CHTR2BPDPK1MAOA
SCHEMBL27856416 0.76 MAOA (0.40) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL27838566 0.76 MAOA (0.40) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL24593559 0.76 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL3364642 0.76 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL20241214 0.73 HTR2A (0.47) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL23275508 0.72 HTR2A (0.38) HTR2AHTR2CHTR2BPDPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR2A 475/4885HTR2C 549/4885HTR2B 88/4885

“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.