SCHEMBL2431606

SCHEMBL2431606

CC1CCCN1C1CCN(c2ccc(C(N)=O)c(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.52
KCNH2 Q12809 6/20 0.52
CYP3A4 P08684 1/20 0.48

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 SCHEMBL3475248 0.96 HRH3 (0.49) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2987959 0.85 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL1730023 0.85 HRH3 (0.61) HRH3KCNH2CYP3A4
SCHEMBL1729654 0.85 HRH3 (0.61) HRH3KCNH2CYP3A4
SCHEMBL1727991 0.85 HRH3 (0.61) HRH3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL3474180 0.84 HRH3 (0.60) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL3475250 0.84 HRH3 (0.49) HRH3KCNH2CYP3A4
SCHEMBL223445 0.84 HRH3 (0.47) HRH3KCNH2CYP3A4
SCHEMBL12321108 0.82 HRH3 (0.55) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2428456 0.81 HRH3 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US claimed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KCNH2 1508/4885CYP3A4 672/4885

“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.