SCHEMBL5366754

SCHEMBL5366754

CCCC1CCN(CCCOc2ccc(-c3noc4cc(F)ccc34)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.56
DRD2 P14416 13/20 0.56
HTR2A P28223 13/20 0.56
HRH3 Q9Y5N1 10/20 0.56
KCNH2 Q12809 6/20 0.56
HTR2C P28335 5/20 0.56
ADRA1A P35348 5/20 0.56
HRH1 P35367 5/20 0.56
HTR6 P50406 5/20 0.56
DRD3 P35462 4/20 0.56
ADRA2A P08913 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1B P35368 1/20 0.54

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
SCHEMBL5371341 0.95 DRD2 (0.51) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5362942 0.89 HTR1A (0.69) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5378501 0.85 HTR1A (0.63) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5371180 0.85 HTR1A (0.61) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL1384500 0.85 HRH3 (0.64) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5363296 0.85 HRH3 (0.64) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5362989 0.85 HRH3 (0.64) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5362805 0.84 HTR1A (0.62) HTR1ADRD2HTR2AHRH3KCNH2
Hydrochloric Acid SCHEMBL5368578 0.84 HRH3 (0.62) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL1381569 0.81 HRH3 (0.56) HTR1ADRD2HTR2AHRH3HRH1

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-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed

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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 HTR1A 25/4885DRD2 2/4885HTR2A 30/4885

“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.