SCHEMBL724768

SCHEMBL724768

CNC1CCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
PDE7A Q13946 1/20 0.39
SLC18A3 Q16572 1/20 0.38
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HTR6 P50406 1/20 0.34
ACKR3 P25106 2/20 0.34

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
SCHEMBL724860 0.98 POLB (0.43) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL723913 0.95 PDE7A (0.36) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL883727 0.90 PDE7A (0.35) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL725303 0.86 DPP4 (0.38) SIGMAR1
SCHEMBL724375 0.86 DPP4 (0.38) SIGMAR1
SCHEMBL1999934 0.86 DPP4 (0.38) SIGMAR1
SCHEMBL13874789 0.85 DPP4 (0.40) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL12568620 0.85 DPP4 (0.40) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL9699059 0.85 DPP4 (0.40) POLBHSD17B10MEN1KMT2ASIGMAR1
SCHEMBL18563077 0.82 PDE7A (0.37) POLBHSD17B10PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3142659-B1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-03-24 EP disclosed
US-10472372-B2 HIV-1 protease inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-11-12 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN disclosed
US-9670225-B2 HIV-1 protease inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-06-06 US disclosed
US-20170088555-A1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-03-30 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
CN-101730691-A Nitrogen-containing aromatic six-membered ring derivatives and drugs containing the same ASUBIO PHARMA CO LTD 2010-06-09 CN disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 EP disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-7547693-B2 Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-06-16 US disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 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 (9 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 POLB 2553/4885HSD17B10 3307/4885MEN1 2118/4885
US-10472372-B2 HIV-1 protease inhibitors and uses thereof SERPINB1, FURIN, PRSS1 POLB 2701/4885HSD17B10 2123/4885MEN1 2769/4885
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 POLB 4373/4885HSD17B10 564/4885MEN1 1524/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 POLB 1258/4885HSD17B10 3606/4885MEN1 4279/4885
US-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 POLB 2791/4885HSD17B10 2510/4885MEN1 1260/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 POLB 4373/4885HSD17B10 564/4885MEN1 1524/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 POLB 2553/4885HSD17B10 3307/4885MEN1 2118/4885
US-20170088555-A1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PRSS1, XPNPEP1, CTRL POLB 1905/4885HSD17B10 1511/4885MEN1 3876/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 POLB 2903/4885HSD17B10 2391/4885MEN1 1352/4885

“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.