SCHEMBL256776

SCHEMBL256776

CC1(c2ccccc2F)CCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.44
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HSD11B1 P28845 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
ACHE P22303 1/20 0.36
HSD11B2 P80365 1/20 0.35
KDM1A O60341 1/20 0.34
PDE7A Q13946 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL12203839 0.96 HDAC4 (0.49) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL15621612 0.91 HDAC4 (0.43) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL4200398 0.82 HDAC4 (0.41) HDAC4HSD11B1OPRM1OPRD1OPRK1
SCHEMBL10820262 0.82 SIGMAR1 (0.41) HDAC4OPRM1
SCHEMBL6926820 0.80 OPRD1 (0.44) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL9393626 0.79 HDAC4 (0.39) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL7896609 0.79 OPRM1 (0.38) HDAC4HSD11B1OPRM1OPRD1OPRK1
SCHEMBL11804925 0.77 SLC6A2 (0.39)
SCHEMBL6926217 0.76 OPRM1 (0.42) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL22400205 0.75 BACE1 (0.46) HDAC4OPRL1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 HDAC4 452/4885PSEN1 4113/4885PSEN2 4110/4885

“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.