SCHEMBL2420174

SCHEMBL2420174

COc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.69
MAPT P10636 4/20 0.65
NPC1 O15118 4/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 3/20 0.65
LMNA P02545 2/20 0.65
QSOX1 O00391 1/20 0.65
PKM P14618 1/20 0.65
GAA P10253 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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 SCHEMBL2426736 0.94 HRH3 (0.62) HRH3MAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL2424058 0.89 HRH3 (0.71) HRH3MAPTNPC1ALDH1A1RAB9A
SCHEMBL2425325 0.88 HRH3 (0.68) HRH3MAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL2427263 0.87 HRH3 (0.71) HRH3MAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL2420000 0.85 HRH3 (0.69) HRH3MAPTSMN1; SMN2RAB9AKCNH2
SCHEMBL2425147 0.85 HRH3 (0.55) HRH3MAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL2418500 0.84 HRH3 (0.68) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2421938 0.83 HRH3 (0.63) HRH3MAPTNPC1ALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL2421603 0.83 HRH3 (0.64) HRH3MAPTNPC1ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2423337 0.82 HRH3 (0.65) HRH3MAPTNPC1SMN1; SMN2RAB9A

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-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
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.