SCHEMBL5156201

SCHEMBL5156201

Fc1ccc(Cc2ccccc2CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTR2A P28223 1/20 0.39
KEAP1 Q14145 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MPO P05164 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90B1 P14625 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL5188628 0.89 HTR2A (0.46) SLC5A1SLC5A2ALDH1A1PKMHTR2A
SCHEMBL9463665 0.85 TSHR (0.52) ALDH1A1HTR2AKEAP1SLC6A2SLC6A4
SCHEMBL695542 0.82 HTR2A (0.56) ALDH1A1HTR2AKEAP1
SCHEMBL12466367 0.82 TRPA1 (0.34) ALDH1A1HTR2AIDO1MPOSLC6A2
SCHEMBL9669021 0.79 HTR2A (0.39) SLC5A1SLC5A2ALDH1A1HTR2AKEAP1
SCHEMBL3891013 0.79 TAAR1 (0.47) ALDH1A1PKMHTR2AKEAP1IDO1
SCHEMBL11631513 0.79 MEN1 (0.43) SLC5A1SLC5A2HTR2AKEAP1IDO1
SCHEMBL4869623 0.79 MPO (0.45) SLC5A1SLC5A2ALDH1A1PKMHTR2A
SCHEMBL4921050 0.79 ALDH1A1 (0.40) SLC5A1SLC5A2ALDH1A1PKMHTR2A
SCHEMBL27473436 0.79 LMNA (0.44) ALDH1A1PKMHTR2AKEAP1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SLC5A1 1074/4885SLC5A2 1279/4885ALDH1A1 3567/4885
US-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 SLC5A1 3409/4885SLC5A2 3817/4885ALDH1A1 1310/4885

“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.