SCHEMBL223823

SCHEMBL223823

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
KCNH2 Q12809 6/20 0.38
CCR8 P51685 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSPB1 P04792 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 2/20 0.35
PTK2 Q05397 1/20 0.35
RAB9A P51151 1/20 0.34

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 SCHEMBL222702 0.94 HRH3 (0.35) HRH3KCNH2CCR8ALDH1A1HSPB1
SCHEMBL2421213 0.84 KMT2A (0.44) HRH3ALDH1A1MEN1KMT2ABRD4
SCHEMBL2421851 0.84 HRH3 (0.35) HRH3KCNH2ALDH1A1RAB9A
SCHEMBL219754 0.83 PKM (0.51) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2421631 0.83 CHRNA7 (0.41) HRH3KCNH2BRD4
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) HRH3KCNH2RAB9A
SCHEMBL2419695 0.82 SMN1; SMN2 (0.48) HRH3KCNH2CCR8ALDH1A1MEN1
SCHEMBL222179 0.81 IRAK4 (0.37) HRH3KCNH2
SCHEMBL222647 0.80 KMT2A (0.41) HRH3KCNH2ALDH1A1MEN1KMT2A
SCHEMBL223649 0.80 KCNH2 (0.46) HRH3KCNH2CCR8ALDH1A1KMT2A

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 HRH3 1/4885KCNH2 1508/4885CCR8 1393/4885

“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.