SCHEMBL638648

SCHEMBL638648

CN(C)c1[c]c2ccccc2cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL2257445 0.82 CYP2A6 (0.34) NCF1
SCHEMBL2456300 0.80 CYP1A2 (0.31)
SCHEMBL5407659 0.79 HPRT1 (0.45) KDM4EMAPT
SCHEMBL9637909 0.78 CA1 (0.30)
SCHEMBL2460080 0.78 ACP1 (0.33) MAPT
SCHEMBL3288004 0.78
SCHEMBL4724421 0.77 HTR1D (0.33) NCF1
SCHEMBL7929660 0.77
SCHEMBL2254293 0.75 ALDH1A1 (0.34) KDM4EMAPT
SCHEMBL4723900 0.75 KDM4E (0.38) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN claimed
CN-105001222-A New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation BOEHRINGER INGELHEIM PHARMA 2015-10-28 CN claimed
CN-102964347-A 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2013-03-13 CN claimed
CN-101503408-A 8-(3-amino-piperidin-1-yl)-xanthines BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 CN claimed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US claimed
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP claimed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 WO claimed
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
CN-1326456-A 8-azabicyclo [3,.2.1] oct-2-ene and-octane derivatives NEUROSEARCH AS (DK) 2001-12-12 CN claimed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 WO claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
WO-1999021869-A1 ERYTHROMYCIN A, 11,12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO claimed
US-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US claimed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US claimed

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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 NCF1 4356/4885KDM4E 779/4885GAA 232/4885
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives CHRNA2, CHRNA7, CHRNA10 NCF1 3316/4885KDM4E 631/4885GAA 3342/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 NCF1 4356/4885KDM4E 779/4885GAA 232/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 NCF1 903/4885KDM4E 123/4885GAA 210/4885

“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.