SCHEMBL2976333

SCHEMBL2976333

CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2ccc(F)cc21

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.94
YEATS4 O95619 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL2964530 0.97 HTR4 (1.00) HTR4YEATS4KCNH2CNR2CNR1
Hydrochloric Acid SCHEMBL2974250 0.96 HTR4 (0.98) HTR4YEATS4KCNH2CNR2
SCHEMBL2967687 0.91 HTR4 (0.81) HTR4YEATS4KCNH2CNR2CNR1
SCHEMBL2974005 0.91 HTR4 (0.83) HTR4YEATS4KCNH2CNR2CNR1
SCHEMBL2964132 0.90 HTR4 (0.80) HTR4YEATS4KCNH2CNR2CNR1
Hydrochloric Acid SCHEMBL2966336 0.90 HTR4 (0.82) HTR4YEATS4KCNH2CNR2CNR1
SCHEMBL2329972 0.89 HTR4 (1.00) HTR4CNR2CNR1
Hydrochloric Acid SCHEMBL2966179 0.88 HTR4 (0.98) HTR4KCNH2CNR2CNR1
SCHEMBL2977005 0.88 HTR4 (0.78) HTR4YEATS4KCNH2CNR2CNR1
Hydrochloric Acid SCHEMBL2964027 0.87 HTR4 (0.77) HTR4YEATS4KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664036-B1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2011-12-28 EP disclosed
EP-1664036-B1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2011-12-28 EP disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER INC. 2005-07-07 US disclosed
WO-2005021539-A1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-03-10 WO 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 (2 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-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity HTR4, GPR4, HTR5A HTR4 1/4885YEATS4 1882/4885KCNH2 508/4885
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity HTR4, GPR4, HTR5A HTR4 1/4885YEATS4 1882/4885KCNH2 508/4885

“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.