SCHEMBL1727972

SCHEMBL1727972

CC1CCCN1C1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.67
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 2/20 0.49

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 SCHEMBL1728077 0.94 HRH3 (0.61) HRH3CYP3A4MEN1ALDH1A1MAPT
SCHEMBL1729698 0.88 HRH3 (0.70) HRH3CYP3A4MEN1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL1728065 0.83 HRH3 (0.64) HRH3CYP3A4KCNH2
SCHEMBL10819842 0.83 HRH3 (0.67) HRH3CYP3A4KCNH2
SCHEMBL1728423 0.81 HRH3 (1.00) HRH3CYP3A4KCNH2
Cyclopropane SCHEMBL2428838 0.78 HRH3 (0.79) HRH3CYP3A4KCNH2
SCHEMBL1728073 0.77 HRH3 (1.00) HRH3CYP3A4KCNH2
SCHEMBL223768 0.77 HRH3 (0.74) HRH3CYP3A4KCNH2
SCHEMBL2420174 0.76 HRH3 (0.69) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL1728127 0.76 HRH3 (1.00) HRH3CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US claimed
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US 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 1/4885CYP3A4 737/4885MEN1 4133/4885

“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.