SCHEMBL1729671

SCHEMBL1729671

Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)N1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 1.00
KCNH2 Q12809 6/20 0.67
CYP3A4 P08684 1/20 0.66

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
Trifluoroacetic Acid SCHEMBL1729394 0.94 HRH3 (0.88) HRH3KCNH2CYP3A4
SCHEMBL1729640 0.90 HRH3 (0.81) HRH3KCNH2CYP3A4
SCHEMBL13891573 0.90 HRH3 (0.81) HRH3KCNH2CYP3A4
SCHEMBL1728110 0.90 HRH3 (0.81) HRH3KCNH2CYP3A4
SCHEMBL1729392 0.90 HRH3 (0.81) HRH3KCNH2CYP3A4
SCHEMBL1729785 0.89 HRH3 (0.80) HRH3KCNH2CYP3A4
SCHEMBL1730494 0.86 HRH3 (0.75) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2427283 0.86 HRH3 (0.78) HRH3KCNH2CYP3A4
SCHEMBL1729738 0.85 HRH3 (1.00) HRH3KCNH2CYP3A4
SCHEMBL2431103 0.84 HRH3 (0.73) HRH3KCNH2CYP3A4

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
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 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 (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-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF HRH3, HRH4, UTS2R HRH3 1/4885KCNH2 1819/4885CYP3A4 737/4885

“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.