SCHEMBL95677

SCHEMBL95677

O=[C]C1CCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HTR1A P08908 5/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 3/20 0.37
SSTR4 P31391 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL16341041 0.89 CA2 (0.39) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4289906 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL29644533 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7948821 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5695479 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL2653890 0.81 HPGD (0.41) NISCHCHRM2CHRM4CHRM5CHRM1
SCHEMBL155647 0.75 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL9810687 0.75 CA2 (0.47) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL460126 0.75 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL17167266 0.75 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US claimed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP claimed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US claimed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US claimed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US claimed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO claimed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US claimed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP claimed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
EP-3871673-B1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2024-01-03 EP disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
US-4777168-A ANTISECRETORY, ANTIULCER AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-10-11 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 (4 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 CA2 798/4885HTR1A 2948/4885SIGMAR1 3249/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA2 823/4885HTR1A 4456/4885SIGMAR1 2794/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA2 254/4885HTR1A 3267/4885SIGMAR1 2364/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885HTR1A 3267/4885SIGMAR1 2364/4885

“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.