SCHEMBL12309752

SCHEMBL12309752

CCCC1COc2ccccc2O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ESR2 Q92731 1/20 0.62
HTT P42858 1/20 0.61
CA2 P00918 3/20 0.55
MTNR1A P48039 1/20 0.54
ADRA2A P08913 2/20 0.53
ADRA1A P35348 2/20 0.53
HTR1A P08908 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
DRD3 P35462 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
CYP1A2 P05177 1/20 0.50

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
SCHEMBL12602022 0.89 POLB (0.59) POLBESR2HTTCA2MTNR1A
SCHEMBL31061980 0.85 POLB (0.61) POLBESR2HTTCA2MTNR1A
SCHEMBL2631380 0.85 POLB (0.61) POLBESR2HTTCA2MTNR1A
SCHEMBL172391 0.85 POLB (0.61) POLBESR2HTTCA2MTNR1A
SCHEMBL9413175 0.84 POLB (0.74) POLBESR2HTTCA2MTNR1A
SCHEMBL8788249 0.81 HTT (0.61) POLBESR2HTTCA2MTNR1A
SCHEMBL406531 0.81 HTT (0.61) POLBESR2HTTCA2MTNR1A
SCHEMBL5871673 0.81 HTT (0.61) POLBESR2HTTCA2MTNR1A
Methyl Alcohol SCHEMBL10973093 0.81 POLB (0.58) POLBESR2HTTCA2MTNR1A
SCHEMBL1568393 0.81 HTT (0.66) POLBHTTCA2MTNR1AADRA2A

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
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 US disclosed
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 US disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 US disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 US disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 US disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 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 (8 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 POLB 2324/4885ESR2 680/4885HTT 3215/4885
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 POLB 170/4885ESR2 2504/4885HTT 1159/4885
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S POLB 3077/4885ESR2 447/4885HTT 4336/4885
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG POLB 4747/4885ESR2 157/4885HTT 4545/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 POLB 4774/4885ESR2 1697/4885HTT 2037/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG POLB 4747/4885ESR2 157/4885HTT 4545/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 POLB 170/4885ESR2 2504/4885HTT 1159/4885
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP POLB 1879/4885ESR2 943/4885HTT 2846/4885

“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.