SCHEMBL3786150

SCHEMBL3786150

Nc1cc(C2CCCCC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
CYP2D6 P10635 1/20 0.49
BACE1 P56817 1/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX2 P34913 1/20 0.39
KMO O15229 1/20 0.39
HTR1D P28221 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL3784662 0.98 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3784040 0.94 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3792026 0.90 TSHR (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786337 0.85 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3781164 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3985023 0.82 BACE1 (0.51) BACE1ACMSDEPHX2KMOHTR1D
SCHEMBL4331978 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15156130 0.79 BACE1 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15335800 0.79 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3787199 0.78 SLC6A2 (0.50) 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.