SCHEMBL6328978

SCHEMBL6328978

COc1nc(N)c(Cl)cc1C(=O)CCC1CCN(CC(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.54
ACHE P22303 13/20 0.53
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6329086 0.90 HTR4 (0.52) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6328452 0.86 HTR4 (0.54) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6328102 0.85 HTR4 (0.70) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6330630 0.84 HTR4 (0.48) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6327188 0.82 HTR4 (0.50) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6328956 0.81 HTR4 (0.66) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7358764 0.81 HTR4 (0.78) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL6329100 0.81 HTR4 (0.65) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7257987 0.78 DRD2 (0.44) HTR4ACHE
SCHEMBL6949136 0.78 ACHE (0.44) HTR4ACHESIGMAR1

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 7 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 claimed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US claimed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP claimed
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
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO 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 3937/4885MEN1 4554/4885

“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.