SCHEMBL8276868

SCHEMBL8276868

NCC(c1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.60
ALDH1A1 P00352 1/20 0.54
THRB P10828 3/20 0.51
P2RX7 Q99572 5/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.48
AKT1S1 Q96B36 1/20 0.48
RPS6KB1 P23443 3/20 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
SCHEMBL18824466 1.00 DPP4 (0.60) DPP4ALDH1A1THRBP2RX7TP53
SCHEMBL16461842 0.94 DPP4 (0.55) DPP4ALDH1A1THRBP2RX7TP53
SCHEMBL16461973 0.84 RPS6KB1 (0.50) THRBP2RX7TP53LMNAAKT1S1
SCHEMBL16461381 0.84 RPS6KB1 (0.50) DPP4ALDH1A1THRBP2RX7TP53
SCHEMBL3470901 0.83 ACHE (0.53) DPP4ALDH1A1P2RX7MAPTAKT1S1
SCHEMBL15797503 0.83 DPP4 (0.53) DPP4ALDH1A1THRBP2RX7TP53
SCHEMBL20746267 0.83 DPP4 (0.64) DPP4ALDH1A1THRBRPS6KB1
SCHEMBL856294 0.83 DPP4 (0.64) DPP4ALDH1A1THRBRPS6KB1
SCHEMBL3669763 0.83 RPS6KB1 (0.49) ALDH1A1THRBP2RX7TP53LMNA
SCHEMBL8276866 0.81 DPP4 (0.58) DPP4ALDH1A1THRBP2RX7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319786-A1 INHIBITOR OF THE P2X7 RECEPTOR MINDIMMUNE THERAPEUTICS, INC. 2018-11-08 US claimed
EP-3371180-A1 INHIBITOR OF THE P2X7 RECEPTOR H. Lundbeck A/S (DK) 2018-09-12 EP claimed
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US claimed
WO-2017076825-A1 INHIBITOR OF THE P2X7 RECEPTOR H. LUNDBECK A/S (DK) 2017-05-11 WO claimed
EP-2931717-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP claimed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US claimed
EP-2931717-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-21 EP claimed
WO-2014091415-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-19 WO claimed
US-20190307766-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3536689-A1 2-(CYCLIC AMINEETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MindImmune Therapeutics, Inc. (US) 2019-09-11 EP disclosed
EP-2906549-B1 N-(2-(CYCLIC AMINE)ETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MINDIMMUNE THERAPEUTICS INC (US) 2019-04-17 EP disclosed
US-10124010-B2 Cyclic amines MINDIMMUNE THERAPEUTICS, INC. (US) 2018-11-13 US disclosed
US-20180319786-A1 INHIBITOR OF THE P2X7 RECEPTOR MINDIMMUNE THERAPEUTICS, INC. 2018-11-08 US disclosed
EP-3371180-A1 INHIBITOR OF THE P2X7 RECEPTOR H. Lundbeck A/S (DK) 2018-09-12 EP disclosed
WO-2014091415-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-19 WO disclosed
US-20140107335-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2014-04-17 US disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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 (6 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-20180319786-A1 INHIBITOR OF THE P2X7 RECEPTOR P2RX7, P2RX2, P2RX1 DPP4 662/4885ALDH1A1 2655/4885THRB 774/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 DPP4 2/4885ALDH1A1 2070/4885THRB 1476/4885
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 DPP4 1374/4885ALDH1A1 1594/4885THRB 568/4885
US-20190307766-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 DPP4 3144/4885ALDH1A1 1554/4885THRB 742/4885
US-20140107335-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 DPP4 3144/4885ALDH1A1 1554/4885THRB 742/4885
US-10124010-B2 Cyclic amines P2RX7, ADORA2A, P2RX2 DPP4 3144/4885ALDH1A1 1554/4885THRB 742/4885

“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.