SCHEMBL220803

SCHEMBL220803

Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.57
KCNH2 Q12809 6/20 0.56
CYP3A4 P08684 1/20 0.55

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
SCHEMBL220716 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL13332998 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL222666 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL222742 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL219968 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL222740 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL2634787 0.92 GAA (0.49) HRH3KCNH2CYP3A4
SCHEMBL2634784 0.92 GAA (0.49) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL3474094 0.89 HRH3 (0.56) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2987961 0.89 HRH3 (0.56) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373659-B1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-07-30 EP disclosed
EP-2373659-B1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-07-30 EP disclosed
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 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
US-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-8383814-B2 Substituted tetrahydropyran spiro pyrrolidinone and piperidinone, preparation and therapeutic use thereof SANOFI (FR) 2013-02-26 US disclosed
US-8383814-B2 Substituted tetrahydropyran spiro pyrrolidinone and piperidinone, preparation and therapeutic use thereof SANOFI (FR) 2013-02-26 US disclosed
US-8383814-B2 Substituted tetrahydropyran spiro pyrrolidinone and piperidinone, preparation and therapeutic use thereof SANOFI (FR) 2013-02-26 US disclosed
US-20120238757-A1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-20 US disclosed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US 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 (5 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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KCNH2 1508/4885CYP3A4 672/4885
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KCNH2 1508/4885CYP3A4 672/4885
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF HRH3, HRH4, UTS2R HRH3 1/4885KCNH2 1819/4885CYP3A4 737/4885
US-20130059874-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NPSR1, NPR1 HRH3 7/4885KCNH2 1051/4885CYP3A4 1561/4885
US-20120238757-A1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 1947/4885CYP3A4 1931/4885

“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.