SCHEMBL222179

SCHEMBL222179

Cc1nc(C(=O)Nc2ccc([N+]3(N4CCC[C@@H]4C)CCCC3)cc2C)co1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
HRH3 Q9Y5N1 9/20 0.37
KCNH2 Q12809 6/20 0.37
GPR6 P46095 1/20 0.37
BACE1 P56817 1/20 0.34
S1PR1 P21453 3/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CYP3A4 P08684 1/20 0.33
FSHR P23945 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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 SCHEMBL220163 0.94 GPR6 (0.35) IRAK4HRH3KCNH2GPR6BACE1
SCHEMBL2422227 0.85 GRM5 (0.40) IRAK4HRH3KCNH2
SCHEMBL2429279 0.85 HRH3 (0.33) HRH3KCNH2MAPTPOLBCYP3A4
SCHEMBL223823 0.81 HRH3 (0.38) HRH3KCNH2
SCHEMBL219754 0.81 PKM (0.51) TP53MAPTPOLB
Cyclohexane SCHEMBL2428515 0.81 HRH3 (0.40) HRH3KCNH2CYP3A4
SCHEMBL2421213 0.81 KMT2A (0.44) HRH3MAPTPOLBCYP3A4
SCHEMBL222647 0.80 KMT2A (0.41) HRH3KCNH2TP53
Trifluoroacetic Acid SCHEMBL2417740 0.80 NTRK1 (0.38) IRAK4HRH3KCNH2
SCHEMBL2421631 0.79 CHRNA7 (0.41) HRH3KCNH2DYRK1A

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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US claimed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US claimed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US disclosed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US disclosed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP 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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 IRAK4 699/4885HRH3 1/4885KCNH2 1508/4885

“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.