SCHEMBL380124

SCHEMBL380124

COC(=O)CCC1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
CHRM4 P08173 3/20 0.43
EPHX2 P34913 1/20 0.42
CHEK1 O14757 1/20 0.41
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10148279 0.86 USP2 (0.60) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL382303 0.85 MAPT (0.49) CHRM4ALDH1A1MAPTKMT2A
SCHEMBL462291 0.84 HRH3 (0.47) USP2KDM4EHDAC3HDAC8CHRM4
SCHEMBL382501 0.83 CHRM2 (0.50) CHRM4MAPT
SCHEMBL7911517 0.82 USP2 (0.65) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL1663774 0.80 USP2 (0.62) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL23051536 0.79 USP2 (0.69) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL28718607 0.77 USP2 (0.58) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL1663654 0.77 USP2 (0.66) USP2HRH1CCR3KCNH2KDM4E
SCHEMBL460572 0.77 PTGER2 (0.46) USP2KDM4EHDAC3HDAC8CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 USP2 2694/4885HRH1 182/4885CCR3 413/4885

“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.