SCHEMBL2423931

SCHEMBL2423931

CC1CCCN1C1CCN(c2ccc(NC(=O)c3cccnc3)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
MAPT P10636 5/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
GAA P10253 1/20 0.68
TP53 P04637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GFER P55789 1/20 0.61
HTT P42858 3/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.50
KCNH2 Q12809 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 SCHEMBL2427276 0.94 HRH3 (0.61) HRH3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2421081 0.86 HRH3 (0.68) HRH3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2424362 0.86 HRH3 (0.63) HRH3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL220068 0.83 HRH3 (0.69) HRH3KCNH2
SCHEMBL2421194 0.83 HRH3 (0.55) HRH3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2427263 0.83 HRH3 (0.71) HRH3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2421214 0.83 HRH3 (0.58) HRH3
SCHEMBL2421215 0.83 HRH3 (0.58) HRH3
SCHEMBL2421662 0.82 HRH3 (0.83) HRH3
Trifluoroacetic Acid SCHEMBL2421645 0.81 HRH3 (0.58) HRH3SMN1; SMN2MAPTNPC1RAB9A

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
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES 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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885SMN1; SMN2 2093/4885MAPT 1607/4885

“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.