SCHEMBL2328351

SCHEMBL2328351

COc1ccc(C2CN(Cc3ccccc3)CC2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
DPP4 P27487 1/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HRH2 P25021 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RORC P51449 1/20 0.47
DRD4 P21917 1/20 0.46

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
SCHEMBL2328354 1.00 SIGMAR1 (0.56) SIGMAR1DPP4DRD2DRD3KDM1A
SCHEMBL2328348 1.00 SIGMAR1 (0.56) SIGMAR1DPP4DRD2DRD3KDM1A
SCHEMBL6572711 0.90 SIGMAR1 (0.64) SIGMAR1DRD2DRD3HRH2MEN1
SCHEMBL1202870 0.85 DPP4 (0.61) SIGMAR1DPP4DRD3KDM1AMAOA
SCHEMBL18435473 0.85 DPP4 (0.61) SIGMAR1DPP4DRD3KDM1AMAOA
SCHEMBL15716274 0.85 DPP4 (0.61) SIGMAR1DPP4DRD3KDM1AMAOA
SCHEMBL13229945 0.85 DPP4 (0.61) SIGMAR1DPP4DRD3KDM1AMAOA
SCHEMBL1202868 0.85 DPP4 (0.61) SIGMAR1DPP4DRD3KDM1AMAOA
SCHEMBL12390494 0.85 DPP4 (0.54) DPP4KDM1AMEN1KMT2ARORC
SCHEMBL23870272 0.83 DPP4 (0.56) SIGMAR1DPP4DRD2DRD3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 WO disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 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 (3 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 SIGMAR1 4676/4885DPP4 3987/4885DRD2 4574/4885
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 SIGMAR1 1739/4885DPP4 438/4885DRD2 2480/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 SIGMAR1 1739/4885DPP4 438/4885DRD2 2480/4885

“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.