SCHEMBL3241986

SCHEMBL3241986

COC(=O)C1CCC(c2cccc(Cl)c2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MDM2 Q00987 2/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 3/20 0.39
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3235237 0.84 KMT2A (0.47) SLC6A3KMT2A
SCHEMBL3241787 0.76 TP53 (0.44) TP53KDM4EALDH1A1HPGD
SCHEMBL3338887 0.76 MEN1 (0.45) SLC6A3ALDH1A1HPGDHSD11B1KMT2A
SCHEMBL21512715 0.75 GRIN2B (0.42) TP53MDM2SLC6A3HPGDLDHA
SCHEMBL29969842 0.75 GRIN2B (0.42) TP53MDM2SLC6A3HPGDLDHA
SCHEMBL3234257 0.73 KMT2A (0.32) SLC6A3MAPTKMT2A
SCHEMBL24732163 0.72 MTNR1A (0.44) HTTKDM4EMAPTKMT2A
SCHEMBL13920729 0.72 TP53 (0.43) TP53
SCHEMBL13920760 0.71 HCRTR2 (0.37) SLC6A3
SCHEMBL5896773 0.71 HDAC4 (0.40) TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US disclosed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 TP53 4715/4885MDM2 2701/4885MAOA 630/4885

“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.