SCHEMBL5033148

SCHEMBL5033148

O=C(O)C1CCN(C2CCCC2)C1c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
NOTUM Q6P988 1/20 0.34
SLC6A9 P48067 2/20 0.34
RIPK1 Q13546 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CALCRL Q16602 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
C3AR1 Q16581 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
SCHEMBL5133092 0.97 HPGD (0.37) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL17262802 0.72 CHRM3 (0.36) CALCRL
SCHEMBL5033141 0.67 NOTUM (0.39) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30663898 0.65 RBP4 (0.47) MEN1KMT2AHPGDNOTUMCALCRL
SCHEMBL5133088 0.64 NOTUM (0.39) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL12812349 0.63 HPGD (0.48) MEN1KMT2ALMNAHPGDTP53
SCHEMBL2460849 0.62 HTR2C (0.39) KMT2AHPGDTP53NOTUMSLC6A9
SCHEMBL9233206 0.62 HTR2C (0.43) ABCB1KDM4EGAATP53HTR2C
SCHEMBL29691690 0.62 HTR2C (0.43) ABCB1KDM4EGAATP53HTR2C
SCHEMBL19897274 0.61 HSD11B1 (0.41) HPGDKDM4EGAA

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-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTT 2046/4885MEN1 540/4885KMT2A 4414/4885

“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.