SCHEMBL1730718

SCHEMBL1730718

c1ccc([N+]2(N3CCCC3)CCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.35
CHRNB4 P30926 1/20 0.35
KCNH2 Q12809 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP2C9 P11712 4/20 0.34
KCNA5 P22460 4/20 0.34
CYP2C19 P33261 4/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2B6 P20813 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRCP P42785 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 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
SCHEMBL11224081 0.67 LMNA (0.33)
SCHEMBL4899672 0.66 LMNA (0.39) CHRNA3CHRNB4CYP3A4CYP1A2CYP2C9
SCHEMBL76560 0.65 LMNA (0.32) APOBEC3AKMT2AAPOBEC3GHPGD
SCHEMBL8143774 0.65 DPP7 (0.42) CYP1A2CYP2D6CYP2C19SLC6A3SIGMAR1
SCHEMBL7377740 0.64 SIGMAR1 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19SLC6A3
SCHEMBL1618360 0.64 PABPC1 (0.38) CHRNA3CHRNB4KCNH2CYP1A2CYP2C9
SCHEMBL1616696 0.64 PABPC1 (0.38) CHRNA3CHRNB4KCNH2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7459719 0.64 PABPC1 (0.32) OPRM1OPRD1APOBEC3AKMT2AAPOBEC3G
SCHEMBL1828313 0.62 LMNA (0.33)
SCHEMBL3066766 0.62 LMNA (0.32) CYP1A2CYP2C9KMT2AHPGD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903341-B Substituted N-phenyl-bipyrrolidine ureas and therapeutic uses thereof SANOFI AVENTIS 2012-10-03 CN disclosed
CN-101903341-B Substituted N-phenyl-bipyrrolidine ureas and therapeutic uses thereof SANOFI AVENTIS 2012-10-03 CN disclosed
CN-101903341-B Substituted N-phenyl-bipyrrolidine ureas and therapeutic uses thereof SANOFI AVENTIS 2012-10-03 CN disclosed
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
US-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP disclosed
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP disclosed
EP-2373652-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONES USED AS H3 MODULATORS SANOFI (FR) 2011-10-12 EP disclosed
EP-2373659-A1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-10-12 EP disclosed
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP 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
WO-2010065803-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONES USED AS H3 MODULATORS SANOFI-AVENTIS (FR) 2010-06-10 WO disclosed
WO-2010065798-A1 SUBSTITUTED TETRAHYDROPYRAN SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-06-10 WO disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 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-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF HRH3, HRH4, UTS2R CHRNA3 84/4885CHRNB4 374/4885KCNH2 1819/4885

“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.