SCHEMBL6326564

SCHEMBL6326564

COc1nc(N)ccc1C(=O)CCC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.55
ACHE P22303 9/20 0.47
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL6328956 0.81 HTR4 (0.66) HTR4ACHE
Hydrochloric Acid SCHEMBL6329100 0.80 HTR4 (0.65) HTR4ACHE
SCHEMBL6330777 0.79 ACHE (0.67) HTR4ACHE
SCHEMBL6327293 0.79 FAAH (0.46) HTR4ACHEFAAH
SCHEMBL7257694 0.74 DRD2 (0.37) HTR4DRD2DRD4
SCHEMBL7360030 0.71 HTR4 (0.69) HTR4ACHE
SCHEMBL7350324 0.71 HTR4 (1.00) HTR4ACHE
SCHEMBL11400510 0.70 TDP1 (0.52) HTR4ACHEHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1315280 0.70 HTR4 (0.53) HTR4ACHEITGB3ITGA2BHDAC3
SCHEMBL14564866 0.70 HTR4 (0.62) HTR4ACHEITGB3ITGA2BDRD2

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-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US disclosed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US disclosed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP 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-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 HTR4 3/4885ACHE 3937/4885ITGB3 2622/4885

“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.