SCHEMBL3576150

SCHEMBL3576150

CC(C)(C)OC(=O)N1CCN(c2ccc(OCCCN3CCCCC3)cc2Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 3/20 0.51
TLR9 Q9NR96 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
HRH3 Q9Y5N1 7/20 0.49
MAOB P27338 2/20 0.49
EPHX2 P34913 2/20 0.48
MAPT P10636 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3587105 0.89 GPR119 (0.52) KDM4EALDH1A1POLBTLR9TLR7
SCHEMBL3581553 0.87 TLR9 (0.49) TLR9TLR7HRH3MAOBEPHX2
SCHEMBL3583026 0.87 TLR9 (0.49) KDM4EALDH1A1POLBTLR9TLR7
SCHEMBL6476185 0.86 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL3579866 0.85 HRH3 (0.63) KDM4EALDH1A1POLBTLR9TLR7
SCHEMBL3579113 0.84 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TLR9TLR7
SCHEMBL3583116 0.84 HRH3 (0.61) SMN1; SMN2ALDH1A1POLBTLR9TLR7
SCHEMBL22638139 0.84 FFAR4 (0.48) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL215303 0.83 EPHX2 (0.52) KDM4ESMN1; SMN2ALDH1A1EPHX2HRH2
SCHEMBL3580230 0.82 HRH3 (0.59) KDM4EALDH1A1POLBTLR9TLR7

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 KDM4E 393/4885SMN1; SMN2 1112/4885ALDH1A1 1903/4885

“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.