SCHEMBL3900939

SCHEMBL3900939

Fc1cc(C2CCCCC2)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.41
ACMSD Q8TDX5 2/20 0.38
DPP4 P27487 1/20 0.38
BACE1 P56817 1/20 0.37
PANK3 Q9H999 1/20 0.37
CXCR3 P49682 1/20 0.37
EPHX2 P34913 1/20 0.36
RORC P51449 1/20 0.36
KMO O15229 1/20 0.36
PDK2 Q15119 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL3913984 0.98 HTR1D (0.40) HTR1DACMSDDPP4BACE1PANK3
SCHEMBL11744677 0.84 ACMSD (0.41) HTR1DACMSDBACE1EPHX2KMO
SCHEMBL3902288 0.83 ACMSD (0.41) HTR1DACMSDDPP4BACE1PANK3
SCHEMBL3908016 0.81 HTR1D (0.40) HTR1DACMSDDPP4PANK3KMO
SCHEMBL3901881 0.79 POLQ (0.44) HTR1DACMSDBACE1EPHX2KMO
SCHEMBL10021168 0.79 HTR1D (0.39) HTR1DACMSDDPP4BACE1RORC
SCHEMBL127034 0.77 ACMSD (0.44) HTR1DACMSDBACE1EPHX2KMO
SCHEMBL3903890 0.77 POLQ (0.45) HTR1DACMSDBACE1PDK2CYP2D6
SCHEMBL19051115 0.77 SLC6A3 (0.49) HTR1DACMSDBACE1EPHX2KMO
SCHEMBL8328994 0.77 OPRL1 (0.46) HTR1DACMSDBACE1EPHX2KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 HTR1D 265/4885ACMSD 3158/4885DPP4 4125/4885

“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.