SCHEMBL2874108

SCHEMBL2874108

N[C@H]1CCN(C2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
OGFRL1 Q5TC84 3/20 0.37
SLC18A3 Q16572 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2874112 1.00 DPP4 (0.44) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL17455848 1.00 DPP4 (0.44) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL1306880 0.98 DPP4 (0.47) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16054225 0.98 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL3097228 0.98 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16054227 0.98 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL3097237 0.98 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL16055400 0.98 DPP4 (0.43) DPP4KDM1AMAOAMAOBOPRM1
Hydrochloric Acid SCHEMBL4227117 0.95 DPP4 (0.46) DPP4KDM1AMAOAMAOBOPRM1
SCHEMBL2552594 0.95 KDM1A (0.41) DPP4KDM1AMAOAMAOBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189485-B It is used as the novel propylene amide derivatives of anti-malarial agents 埃科特莱茵药品有限公司 2017-10-24 CN disclosed
US-9637473-B2 Acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-02 US disclosed
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
CN-105189485-A Novel acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD 2015-12-23 CN disclosed
EP-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 EP disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 US disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP 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-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 DPP4 2827/4885KDM1A 2420/4885MAOA 2270/4885
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS RECQL, ACR, ABCC3 DPP4 3793/4885KDM1A 1856/4885MAOA 1415/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP DPP4 46/4885KDM1A 2311/4885MAOA 2091/4885

“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.