SCHEMBL222647

SCHEMBL222647

Cc1cc(C(=O)Nc2ccc([N+]3(N4CCC[C@@H]4C)CCCC3)cc2C)on1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
HRH3 Q9Y5N1 7/20 0.41
KCNH2 Q12809 5/20 0.41
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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 SCHEMBL445482 0.94 HRH3 (0.38) KMT2AHRH3KCNH2ALOX12NPC1
SCHEMBL2423988 0.84 MAPT (0.36) KMT2AHRH3KCNH2NPC1RAB9A
SCHEMBL219754 0.84 PKM (0.51) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL2422227 0.82 GRM5 (0.40) HRH3KCNH2
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) HRH3KCNH2NPC1RAB9A
SCHEMBL222179 0.80 IRAK4 (0.37) HRH3KCNH2TP53
SCHEMBL223823 0.80 HRH3 (0.38) KMT2AHRH3KCNH2RAB9AMEN1
SCHEMBL2421213 0.80 KMT2A (0.44) KMT2AHRH3NPC1RAB9AMEN1
SCHEMBL223649 0.79 KCNH2 (0.46) KMT2AHRH3KCNH2RAB9AHTT
Trifluoroacetic Acid SCHEMBL223636 0.79 PKM (0.45) KMT2ANPC1RAB9AMEN1HTT

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 KMT2A 507/4885HRH3 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.