SCHEMBL2425325

SCHEMBL2425325

COc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.68
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
QSOX1 O00391 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
TAAR1 Q96RJ0 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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 SCHEMBL2421603 0.94 HRH3 (0.64) HRH3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2422678 0.90 HRH3 (0.68) HRH3MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL13266071 0.88 HRH3 (0.73) HRH3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2420290 0.88 HRH3 (0.64) HRH3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2420174 0.88 HRH3 (0.69) HRH3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2428108 0.86 HRH3 (0.62) HRH3MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2419835 0.85 HRH3 (0.61) HRH3RAB9A
Trifluoroacetic Acid SCHEMBL2419746 0.85 HRH3 (0.64) HRH3MAPTTP53
SCHEMBL2424362 0.83 HRH3 (0.63) HRH3MAPTNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2421907 0.83 HRH3 (0.59) HRH3MAPTSMN1; SMN2TP53TDP1

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 1/4885MAPT 1607/4885NPC1 1047/4885

“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.