SCHEMBL223649

SCHEMBL223649

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CCR8 P51685 1/20 0.43
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
EIF4H Q15056 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL223654 0.99 KMT2A (0.46) KCNH2HRH3KMT2AGAARAB9A
Trifluoroacetic Acid SCHEMBL444415 0.93 KCNH2 (0.41) KCNH2HRH3KMT2AGAARAB9A
Trifluoroacetic Acid SCHEMBL223098 0.92 KMT2A (0.41) KCNH2HRH3KMT2AGAARAB9A
Cyclohexane SCHEMBL2428515 0.88 HRH3 (0.40) KCNH2HRH3RAB9ATHRB
SCHEMBL220849 0.87 HRH3 (0.38) KCNH2HRH3KMT2ARAB9AALDH1A1
SCHEMBL2423319 0.85 KDM4E (0.56) KMT2AALDH1A1MAPTHTT
SCHEMBL222631 0.84 RAB9A (0.47) HRH3KMT2ARAB9AALDH1A1CCR8
SCHEMBL2428638 0.84 HRH3 (0.38) KCNH2HRH3RAB9AMAPT
SCHEMBL254047 0.83 NPC1 (0.48) KCNH2HRH3KMT2ARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL222396 0.81 HRH3 (0.35) KCNH2HRH3RAB9AHTTAPOBEC3A

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 KCNH2 1508/4885HRH3 1/4885KMT2A 507/4885

“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.