SCHEMBL3786279

SCHEMBL3786279

Clc1cc(C2CC2)ccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A4 P31645 10/20 0.42
SLC6A3 Q01959 10/20 0.42
KCNH2 Q12809 6/20 0.42
CYP2D6 P10635 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
SMURF2 Q9HAU4 1/20 0.37
SMURF1 Q9HCE7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ABCB1 P08183 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL8331330 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3784884 0.91 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3785820 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786167 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3783984 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9870878 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL433540 0.79 GAA (0.52) HTR2AHTR2CHTR2B
SCHEMBL15517647 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL879247 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15516979 0.76 MEN1 (0.42) 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.