SCHEMBL6603663

SCHEMBL6603663

CC(OCn1cc(Br)cn1)[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL26912128 0.73
SCHEMBL7260575 0.72 ALDH1A1 (0.41) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL16912027 0.71 ACHE (0.49) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL584438 0.70 DGAT1 (0.40) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL659599 0.69 HPGD (0.46) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL31049419 0.69 HPGD (0.43) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL27868151 0.68 ALDH1A1 (0.42) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL670881 0.68
SCHEMBL13791713 0.68
SCHEMBL8890465 0.67 FDPS (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 HPGD 231/4885ALDH1A1 895/4885KMT2A 2975/4885

“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.