SCHEMBL219754

SCHEMBL219754

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.51
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.46
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.42
GRM7 Q14831 1/20 0.42
GRM4 Q14833 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42

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 SCHEMBL223636 0.94 PKM (0.45) PKMNPSR1ALDH1A1HTTGAA
SCHEMBL2425863 0.84 HRH3 (0.33) PKMNPSR1ALDH1A1HTTRAB9A
SCHEMBL222647 0.84 KMT2A (0.41) ALDH1A1HTTGAARAB9AKMT2A
SCHEMBL223823 0.83 HRH3 (0.38) ALDH1A1RAB9AKMT2AMEN1
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) RAB9ANPC1
SCHEMBL222179 0.81 IRAK4 (0.37) POLBMAPTTP53
SCHEMBL2421631 0.81 CHRNA7 (0.41)
SCHEMBL2422227 0.81 GRM5 (0.40)
SCHEMBL2421213 0.80 KMT2A (0.44) NPSR1ALDH1A1RAB9AKMT2APOLB
SCHEMBL2419695 0.80 SMN1; SMN2 (0.48) PKMNPSR1ALDH1A1SMN1; 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-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 PKM 1531/4885NPSR1 11/4885ALDH1A1 911/4885

“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.