SCHEMBL12078569

SCHEMBL12078569

c1ccc(CCN2CCC3(CC2)OCC(CSc2ccccc2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
TMEM97 Q5BJF2 2/20 0.46
HTR1A P08908 2/20 0.44
OPRM1 P35372 4/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL17875123 0.84 SIGMAR1 (0.53) SIGMAR1TMEM97HTR1AOPRM1ADRA1D
SCHEMBL486331 0.83 SIGMAR1 (0.50) SIGMAR1TMEM97HTR1AOPRM1ADRA1D
SCHEMBL12080250 0.81 SIGMAR1 (0.58) SIGMAR1TMEM97HTR1AADRA1DADRA1A
SCHEMBL12079909 0.79 SIGMAR1 (0.53) SIGMAR1TMEM97HTR1AOPRM1ADRA1D
SCHEMBL486304 0.71 HTR1A (0.42) SIGMAR1TMEM97HTR1AOPRM1ADRA1D
SCHEMBL486366 0.71 ALDH1A1 (0.42) SIGMAR1TMEM97HTR1AOPRM1ADRA1D
SCHEMBL17318844 0.68 DRD2 (0.62) SIGMAR1OPRM1KCNH2SLC6A3
SCHEMBL13150782 0.65 SLC6A3 (0.83) SIGMAR1HTR1AKCNH2SLC6A3
SCHEMBL6056974 0.65 SLC6A3 (0.83) SIGMAR1HTR1AKCNH2SLC6A3
SCHEMBL14407778 0.65 SLC6A3 (0.83) SIGMAR1HTR1AKCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410854-B1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-06-29 EP claimed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US claimed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 US claimed
EP-2410854-B1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-06-29 EP disclosed
EP-2410854-B1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-06-29 EP disclosed
US-20150167008-A1 ANTISENSE MODULATION OF SUPEROXIDE DISMUTASE 1, SOLUBLE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 US disclosed
WO-2010109299-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO [4,5] DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-30 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 (1 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-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF CYP4X1, CYP51A1, CYP1A1 SIGMAR1 801/4885TMEM97 2154/4885HTR1A 1022/4885

“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.