SCHEMBL3784884

SCHEMBL3784884

Clc1cc(C2CCC2)ccc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
KCNH2 Q12809 2/20 0.47
CYP2D6 P10635 1/20 0.47
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
EBP Q15125 1/20 0.40
CEL P19835 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
KMO O15229 1/20 0.37
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
BACE1 P56817 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
SCHEMBL3785820 0.96 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786167 0.94 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8331330 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786279 0.91 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3790975 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL2407 0.83 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL432356 0.81 GAA (0.53) SIGMAR1TMEM97EBPGAATSHR
SCHEMBL27483348 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3792713 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15335800 0.78 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SLC6A2 2280/4885SLC6A4 3330/4885SLC6A3 2019/4885

“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.