SCHEMBL5537578

SCHEMBL5537578

Cc1cc(OC2CCN(CCc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.53
HTR1D P28221 7/20 0.53
HTR1B P28222 7/20 0.53
CYP2C9 P11712 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HTR2A P28223 4/20 0.49
HTR4 Q13639 3/20 0.49
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NCF1 P14598 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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 0.88 NCF1 (0.58) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL5528217 0.84 HRH3 (0.52) HTR1ANCF1HRH3
SCHEMBL5532956 0.84 MCHR1 (0.53) HTR1AHTR1DHTR1BNCF1
SCHEMBL5532160 0.84 HTR1D (0.44) HTR1AHTR1DHTR1BNCF1HRH3
SCHEMBL5532322 0.83 SLC2A1 (0.45) HTR1AHTR1DHTR1BDRD2NCF1
SCHEMBL5528119 0.83 ADAM17 (0.44) HTR1AHTR1DHTR1BNCF1HRH3
SCHEMBL14437441 0.82 NCF1 (0.51) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL5529815 0.82 NCF1 (0.51) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL13945359 0.82 HTR1D (0.51) HTR1AHTR1DHTR1BSIGMAR1NCF1
SCHEMBL14437442 0.82 SCN9A (0.51) HTR1AHTR1DHTR1BNCF1LMNA

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 HTR1A 721/4885HTR1D 1094/4885HTR1B 677/4885

“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.