SCHEMBL7515443

SCHEMBL7515443

c1ccc(OC[C@@H]2CCCN2)nc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
CHRNA3 P32297 3/20 0.57
CHRNB4 P30926 2/20 0.57
SLC6A2 P23975 1/20 0.54
HRH2 P25021 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
LTA4H P09960 5/20 0.54

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
SCHEMBL30417302 1.00 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4SLC6A2
SCHEMBL7417708 1.00 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4SLC6A2
SCHEMBL7411773 0.89 CHRNA3 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4SLC6A2
SCHEMBL3254876 0.89 CHRNA3 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4SLC6A2
SCHEMBL14099224 0.86 LTA4H (0.65) CHRNA3LTA4H
Hydrochloric Acid SCHEMBL4313059 0.85 LTA4H (0.64) CHRNA3LTA4H
Hydrochloric Acid SCHEMBL4313064 0.85 LTA4H (0.64) CHRNA3LTA4H
SCHEMBL13809291 0.82 LTA4H (0.71) LTA4H
SCHEMBL6614963 0.81 POLB (0.45) CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL30181405 0.81 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4SLC6A2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 US disclosed
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 US disclosed
US-20160073631-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 US disclosed
US-20160073631-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 US disclosed
US-9233920-B2 Process for the preparation of dihydropyrrole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-01-12 US disclosed
US-9233920-B2 Process for the preparation of dihydropyrrole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-01-12 US disclosed
EP-2580211-B1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 EP disclosed
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-09-12 US disclosed
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-09-12 US disclosed
WO-2011154555-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-15 WO disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 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 (4 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CHRNB2 3365/4885CHRNA4 1167/4885CHRNA3 2401/4885
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS CYP4B1, CYP4F3, CYP4F2 CHRNB2 2244/4885CHRNA4 1840/4885CHRNA3 2584/4885
US-20160073631-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES CYP1A1, CYP1B1, CYP1A2 CHRNB2 3089/4885CHRNA4 3436/4885CHRNA3 2884/4885
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES CYP1A1, CYP1B1, CYP1A2 CHRNB2 3089/4885CHRNA4 3436/4885CHRNA3 2884/4885

“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.