SCHEMBL2965770

SCHEMBL2965770

CC(=O)N1CCN(CC(O)CN2[C@@H]3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRMT5 O14744 12/20 0.33
WDR77 Q9BQA1 12/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.31
GNRHR P30968 1/20 0.31

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
SCHEMBL2975909 1.00 PIK3CD (0.37) PIK3CDKDM4EUSP2ALDH1A1ALOX15
SCHEMBL2975908 1.00 PIK3CD (0.37) PIK3CDKDM4EUSP2ALDH1A1ALOX15
SCHEMBL2980624 0.89
SCHEMBL3981204 0.87 PIK3CD (0.35) PIK3CDKDM4EUSP2ALDH1A1ALOX15
SCHEMBL1022505 0.85 HTR4 (0.37) PRMT5WDR77
SCHEMBL2980596 0.85 HTR4 (0.37) PRMT5WDR77
SCHEMBL1021565 0.85 HTR4 (0.37) PRMT5WDR77
SCHEMBL1022503 0.85 HTR4 (0.37) PRMT5WDR77
SCHEMBL14686102 0.84 KDM1A (0.36) PIK3CDALDH1A1L3MBTL1
SCHEMBL3214243 0.84 KDM1A (0.36) PIK3CDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US claimed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US claimed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US claimed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US claimed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US disclosed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 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 (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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A PIK3CD 910/4885KDM4E 1082/4885USP2 3402/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A PIK3CD 919/4885KDM4E 1073/4885USP2 3351/4885

“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.