SCHEMBL486304

SCHEMBL486304

Clc1cc(Br)ccc1OCC1COC2(CCN(CCc3ccccc3)CC2)O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.37
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12079909 0.77 SIGMAR1 (0.53) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL17875123 0.75 SIGMAR1 (0.53) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL486331 0.74 SIGMAR1 (0.50) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL486366 0.74 ALDH1A1 (0.42) HTR1AADRA1AADRA1DADRA1BALDH1A1
SCHEMBL12078569 0.71 SIGMAR1 (0.46) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL12080250 0.71 SIGMAR1 (0.58) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL16585014 0.68 TSHR (0.47) MAPTALDH1A1HTTKDM4ELMNA
SCHEMBL2767847 0.63 RAB9A (0.56) MAPTALDH1A1HTTKDM4EPOLB
SCHEMBL4704046 0.62 LTA4H (0.53) HTR1AALDH1A1SIGMAR1KDM4ETMEM97
SCHEMBL2329109 0.62 ALDH1A1 (0.67) MAPTALDH1A1HTTKDM4ELMNA

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-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
EP-2410854-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-02-01 EP 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 HTR1A 1022/4885ADRA1A 683/4885ADRA1D 1224/4885

“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.