SCHEMBL4649848

SCHEMBL4649848

C[N+](C)(Cc1ccccc1)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DNM1 Q05193 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.34
ACHE P22303 2/20 0.34
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
L3MBTL1 Q9Y468 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
Bromide SCHEMBL5127809 0.98 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL4649332 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL564456 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1DNM1MEN1
Bromide SCHEMBL5117868 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL28256353 0.76 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1DNM1MEN1
Hydrochloric Acid SCHEMBL31362231 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL28423034 0.74 KDM4E (0.47) ALDH1A1KDM4ETDP1DNM1MEN1
Bromide SCHEMBL11060577 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL6624834 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1DNM1MEN1
SCHEMBL28021011 0.73 ACHE (0.57) ALDH1A1KDM4ETDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312268-A1 Substituted tricyclic piperidone compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
EP-1966138-A2 SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES Grünenthal GmbH (DE) 2008-09-10 EP disclosed
WO-2007079929-A2 SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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 (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-20080312268-A1 Substituted tricyclic piperidone compounds ITCH, OPRD1, OPRK1 ALDH1A1 6/4885KDM4E 2915/4885TDP1 2925/4885

“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.