SCHEMBL3576496

SCHEMBL3576496

O=C(O)N1CCC[C@@H](COc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 2/20 0.54
POLB P06746 3/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
ALDH1A1 P00352 3/20 0.49
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RBP4 P02753 1/20 0.47
MCL1 Q07820 1/20 0.47
GRM3 Q14832 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3575401 1.00 MEN1 (0.58) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3591495 0.90 LMNA (0.53) MEN1KMT2ALMNAPOLBOXTR
SCHEMBL3578863 0.86 KMT2A (0.55) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3581757 0.86 KMT2A (0.55) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3580411 0.82 KMT2A (0.57) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3585948 0.82 KMT2A (0.57) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3588172 0.82 RBP4 (0.67) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL3579174 0.79 KMT2A (0.56) MEN1KMT2ALMNAPOLBDRD2
SCHEMBL13518961 0.77 HCRTR1 (0.58) MEN1KMT2APOLBDRD2ALDH1A1
SCHEMBL3591355 0.77 TGFBR1 (0.59) MEN1KMT2ALMNADRD2HTR2A

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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 MEN1 1222/4885KMT2A 209/4885LMNA 4344/4885

“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.