SCHEMBL5527438

SCHEMBL5527438

Cc1cc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.48
NCF1 P14598 1/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
BACE1 P56817 3/20 0.47
HTR1B P28222 2/20 0.45
HTR1A P08908 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 1/20 0.44
ADRB2 P07550 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
ADAM17 P78536 1/20 0.44
PHGDH O43175 1/20 0.43

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
SCHEMBL5532963 0.90 NCF1 (0.58) HTR1DNCF1HTR1BHTR1AKCNH2
SCHEMBL5529129 0.89 HTR1D (0.52) HTR1DNCF1BCHEACHEBACE1
SCHEMBL5529815 0.88 NCF1 (0.51) HTR1DNCF1HTR1BHTR1ASMN1; SMN2
SCHEMBL14437441 0.88 NCF1 (0.51) HTR1DNCF1HTR1BHTR1ASMN1; SMN2
SCHEMBL5531659 0.86 HTR1D (0.57) HTR1DNCF1ACHEHTR1BHTR1A
SCHEMBL13945423 0.84 HTR1D (0.50) HTR1DNCF1HTR1BHTR1AKCNH2
SCHEMBL5532964 0.84 HRH3 (0.58) HTR1DNCF1HTR1BHTR1ASMN1; SMN2
SCHEMBL5532956 0.83 MCHR1 (0.53) HTR1DNCF1HTR1BHTR1AKCNH2
SCHEMBL13945359 0.83 HTR1D (0.51) HTR1DNCF1HTR1BHTR1ASMN1; SMN2
SCHEMBL5531742 0.83 SSTR5 (0.54) HTR1DBCHEACHEHTR1BHTR1A

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 HTR1D 1094/4885NCF1 2805/4885BCHE 1468/4885

“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.