SCHEMBL1096019

SCHEMBL1096019

O=C1OC2(CCNCC2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2D6 P10635 1/20 0.45
GRM2 Q14416 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
OPRM1 P35372 3/20 0.42
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL11371915 0.86 SIGMAR1 (0.52) TACR2TACR1KMT2ATSHRCYP2D6
SCHEMBL18422475 0.86 ALDH1A1 (0.52) TACR2TACR1ALDH1A1GRM2
SCHEMBL13140370 0.85 GRM2 (0.51) TACR2TACR1MEN1KMT2ATSHR
SCHEMBL14519941 0.83 GRM2 (0.50) MEN1KMT2AALDH1A1GRM2OPRM1
SCHEMBL2446498 0.82 SIGMAR1 (0.49) TACR2TACR1MEN1KMT2AALDH1A1
SCHEMBL13078736 0.82 TACR2 (0.53) TACR2TACR1MEN1KMT2AGRM2
SCHEMBL735638 0.81 SIGMAR1 (0.52) TACR1MEN1KMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL1475899 0.80 KDM4E (0.52) TACR2TACR1KMT2AALDH1A1CYP2C9
SCHEMBL4501717 0.80 GRM2 (0.41) TACR2TACR1ALDH1A1GRM2
SCHEMBL1085855 0.80 RIPK1 (0.49) TACR2TACR1MEN1KMT2AALDH1A1

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
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
EP-1940835-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US 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 (2 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC TACR2 1923/4885TACR1 1796/4885MEN1 1008/4885
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors PDE4B, PDE3B, PDE4A TACR2 441/4885TACR1 418/4885MEN1 4269/4885

“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.