SCHEMBL220849

SCHEMBL220849

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1C(C)(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
KCNH2 Q12809 2/20 0.38
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 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 SCHEMBL222396 0.93 HRH3 (0.35) HRH3KCNH2RAB9AGLAAPOBEC3A
SCHEMBL223649 0.87 KCNH2 (0.46) HRH3KCNH2RAB9AAPOBEC3AAPOBEC3G
SCHEMBL2428638 0.86 HRH3 (0.38) HRH3KCNH2RAB9ACYP3A4
SCHEMBL223654 0.86 KMT2A (0.46) HRH3KCNH2RAB9AALDH1A1KMT2A
Cyclohexane SCHEMBL2428515 0.86 HRH3 (0.40) HRH3KCNH2RAB9ACYP3A4
SCHEMBL2423319 0.83 KDM4E (0.56) ALDH1A1HPGDHTTKDM4ELMNA
Trifluoroacetic Acid SCHEMBL444415 0.81 KCNH2 (0.41) HRH3KCNH2RAB9AALDH1A1HTT
SCHEMBL254047 0.81 NPC1 (0.48) HRH3KCNH2RAB9AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL223098 0.81 KMT2A (0.41) HRH3KCNH2RAB9AALDH1A1KMT2A
SCHEMBL222631 0.80 RAB9A (0.47) HRH3RAB9AALDH1A1KDM4EKMT2A

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 1508/4885RAB9A 3245/4885

“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.