SCHEMBL6586841

SCHEMBL6586841

Cn1cc(Sc2cccc(Cl)c2)c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MAPT P10636 3/20 0.41
STS P08842 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
BACE1 P56817 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
RET P07949 1/20 0.38
TP53 P04637 2/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 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
SCHEMBL6585675 0.80 HTR6 (0.68) HTR6MAPTSTSCPT2CPT1A
SCHEMBL30208156 0.73 MAPT (0.63) HTR6MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1458945 0.73 MAPT (0.63) HTR6MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5203242 0.72 HTR6 (0.52) HTR6BACE1POLB
SCHEMBL5375431 0.71 BACE1 (0.51) MAPTSTSBACE1KMT2AMEN1
SCHEMBL5363084 0.71 STS (0.50) MAPTSTSBACE1KMT2AMEN1
SCHEMBL5203240 0.70 HTR6 (0.43) HTR6BACE1SMARCA2SMARCA4PBRM1
SCHEMBL29057919 0.69 PDK2 (0.41) MAPTBACE1TP53LMNASMARCA2
SCHEMBL3545788 0.69 STS (0.41) STSKMT2AMEN1SMN1; SMN2TP53
SCHEMBL30208133 0.69 MEN1 (0.58) MAPTSTSKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US disclosed
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A HTR6 1/4885MAPT 545/4885STS 1076/4885

“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.