SCHEMBL223654

SCHEMBL223654

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
CCR8 P51685 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 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
SCHEMBL223649 0.99 KCNH2 (0.46) KMT2AGAAHRH3KCNH2CCR8
Trifluoroacetic Acid SCHEMBL223098 0.93 KMT2A (0.41) KMT2AGAAHRH3KCNH2CCR8
Trifluoroacetic Acid SCHEMBL444415 0.92 KCNH2 (0.41) KMT2AGAAHRH3KCNH2CCR8
Cyclohexane SCHEMBL2428515 0.89 HRH3 (0.40) HRH3KCNH2RAB9ATHRB
SCHEMBL220849 0.86 HRH3 (0.38) KMT2AHRH3KCNH2RAB9AALDH1A1
SCHEMBL2423319 0.84 KDM4E (0.56) KMT2AALDH1A1SMN1; SMN2
SCHEMBL222631 0.83 RAB9A (0.47) KMT2AHRH3CCR8RAB9AALDH1A1
SCHEMBL2428638 0.83 HRH3 (0.38) HRH3KCNH2RAB9A
SCHEMBL254047 0.82 NPC1 (0.48) KMT2AHRH3KCNH2RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL222396 0.81 HRH3 (0.35) HRH3KCNH2RAB9A

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 507/4885GAA 3600/4885HRH3 1/4885

“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.