SCHEMBL1728296

SCHEMBL1728296

Cc1cc(NC(=O)N2CCCCC2)ccc1N1CCC(N2CCCC2C)C1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.87
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP3A4 P08684 1/20 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 SCHEMBL1730409 0.94 HRH3 (0.77) HRH3NPC1RAB9A
SCHEMBL1729723 0.93 HRH3 (1.00) HRH3CYP3A4
SCHEMBL1729765 0.93 HRH3 (1.00) HRH3CYP3A4
SCHEMBL1730708 0.89 HRH3 (0.80) HRH3NPC1RAB9A
Trifluoroacetic Acid SCHEMBL1727893 0.87 HRH3 (0.88) HRH3
Trifluoroacetic Acid SCHEMBL1730706 0.87 HRH3 (0.88) HRH3CYP3A4
SCHEMBL220118 0.87 HRH3 (0.72) HRH3CYP3A4
SCHEMBL1730489 0.86 HRH3 (0.69) HRH3CYP3A4
SCHEMBL1729709 0.86 HRH3 (1.00) HRH3
SCHEMBL1728352 0.85 HRH3 (1.00) HRH3NPC1RAB9ACYP3A4

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 1/4885NPC1 1261/4885RAB9A 2900/4885

“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.