SCHEMBL2634784

SCHEMBL2634784

Cc1cc(N2CCC(N3CCC[C@@H]3C)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
HRH3 Q9Y5N1 19/20 0.48
KCNH2 Q12809 6/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2634787 1.00 GAA (0.49) GAARAD52HRH3KCNH2CYP3A4
SCHEMBL222666 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL13332998 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL220803 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL222742 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL219968 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL222740 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL220716 0.92 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL2635026 0.85 HRH3 (0.46) HRH3KCNH2CYP3A4
SCHEMBL2635218 0.85 HRH3 (0.46) HRH3KCNH2CYP3A4

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
EP-2569296-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
US-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
WO-2011143163-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143163-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO 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-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NPSR1, NPR1 GAA 4505/4885RAD52 4254/4885HRH3 7/4885

“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.