SCHEMBL6842238

SCHEMBL6842238

COC(=O)C1CCCC1c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 3/20 0.51
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
SLC6A3 Q01959 2/20 0.42
KMT2A Q03164 1/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
GRM5 P41594 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2800883 0.85 HRH3 (0.53) SLC6A2SLC6A4HRH3DRD2DRD3
SCHEMBL13196798 0.85 HRH3 (0.53) SLC6A2SLC6A4HRH3DRD2DRD3
SCHEMBL2800881 0.85 HRH3 (0.53) SLC6A2SLC6A4HRH3DRD2DRD3
SCHEMBL6839707 0.84 HRH3 (0.54) HRH3DRD2DRD3KMT2AL3MBTL1
SCHEMBL6839703 0.84 HRH3 (0.54) HRH3DRD2DRD3KMT2AL3MBTL1
SCHEMBL6839704 0.84 HRH3 (0.54) HRH3DRD2DRD3KMT2AL3MBTL1
SCHEMBL7022189 0.84 HRH3 (0.54) HRH3DRD2DRD3KMT2AL3MBTL1
SCHEMBL6982455 0.81 DRD2 (0.45) HRH3DRD2DRD3CACNA1FCACNA1D
SCHEMBL6982450 0.81 DRD2 (0.45) HRH3DRD2DRD3CACNA1FCACNA1D
SCHEMBL6982459 0.81 DRD2 (0.45) HRH3DRD2DRD3CACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1496361-A Phenyl derivatives 3 Ĭ��ר���ɷ����޹�˾ 2004-05-12 CN disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 SLC6A2 4483/4885SLC6A4 4440/4885HRH3 1000/4885

“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.