SCHEMBL4713245

SCHEMBL4713245

CCCCCCc1ccc(C23CNCC2C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
DRD3 P35462 5/20 0.65
DRD2 P14416 4/20 0.65
SLC6A2 P23975 8/20 0.57
SLC6A4 P31645 8/20 0.57
SLC6A3 Q01959 8/20 0.57
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL11622067 0.99 KCNH2 (0.64) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL4711836 0.82 SLC6A2 (0.68) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL13201897 0.79 DRD3 (1.00) KCNH2DRD3DRD2CYP1A2CYP3A4
SCHEMBL4713248 0.76 SLC6A2 (0.41) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL4712815 0.75 SLC6A2 (0.62) KCNH2DRD3DRD2SLC6A2SLC6A4
Bicifadine SCHEMBL38793 0.74 SLC6A2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
Bicifadine SCHEMBL6003632 0.74 SLC6A2 (1.00) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL11083508 0.74 SLC6A2 (0.59) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL4716048 0.72 SLC6A2 (0.62) KCNH2DRD3DRD2SLC6A2SLC6A4
SCHEMBL4710604 0.72 SLC6A2 (0.62) KCNH2DRD3DRD2SLC6A2SLC6A4

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
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US claimed
EP-1904059-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP disclosed
WO-2007013936-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2007-02-01 WO disclosed
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US 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-20070021488-A1 Method for treating nervous system disorders and conditions AVPR1B, AVPR2, AVPR1A KCNH2 242/4885DRD3 603/4885DRD2 714/4885

“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.