SCHEMBL5532964

SCHEMBL5532964

Cc1cc(OC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
HTR1D P28221 3/20 0.48
NCF1 P14598 1/20 0.47
HTR1B P28222 2/20 0.45
HTR1A P08908 1/20 0.45
AKT1 P31749 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NSD2 O96028 1/20 0.43
PARP14 Q460N5 1/20 0.43
PRKAA2 P54646 1/20 0.42

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
SCHEMBL5531637 0.90 HRH3 (0.51) HRH3HTR1DNCF1HTR1BHTR1A
SCHEMBL8095794 0.90 HRH3 (0.58) HRH3MAOAMAOBHTR1DNCF1
SCHEMBL5532963 0.90 NCF1 (0.58) HRH3MAOAMAOBHTR1DNCF1
SCHEMBL5529815 0.88 NCF1 (0.51) MAOAMAOBHTR1DNCF1HTR1B
SCHEMBL8095832 0.87 HRH3 (0.50) HRH3MAOAMAOBHTR1DAKT1
SCHEMBL5529129 0.87 HTR1D (0.52) HTR1DNCF1HTR1BHTR1ASMN1; SMN2
SCHEMBL13945424 0.86 HTR1D (0.47) HRH3HTR1DNCF1HTR1BHTR1A
SCHEMBL5531659 0.86 HTR1D (0.57) MAOAMAOBHTR1DNCF1HTR1B
SCHEMBL14437441 0.85 NCF1 (0.51) MAOAMAOBHTR1DNCF1HTR1B
SCHEMBL13969375 0.84 HTR1D (0.42) HRH3HTR1DNCF1HTR1BHTR1A

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HRH3 1454/4885MAOA 1975/4885MAOB 2080/4885

“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.