SCHEMBL3967600

SCHEMBL3967600

C#CCNC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
CTH P32929 1/20 0.33
CAPN1 P07384 1/20 0.33
MAOA P21397 1/20 0.32
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31

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
SCHEMBL13561305 0.83 CA12 (0.34) CA1CA2CA14CA12CA9
SCHEMBL19303393 0.79 RIPK1 (0.46) CA1CA2CA14POLBCA12
SCHEMBL30069470 0.79 CA12 (0.33) CA1CA2CA14CA12CA9
SCHEMBL3958153 0.79 POLB (0.41) CA1CA2CA14CA7POLB
SCHEMBL68609 0.78 SMN1; SMN2 (0.50) CA1CA2CA14CA7POLB
SCHEMBL19303271 0.78 CA12 (0.32) CA1CA2CA14CA12CA9
SCHEMBL7748051 0.77 POLB (0.37) CA1CA2CA14CA7POLB
SCHEMBL3965052 0.76 POLB (0.46) CA2CA14CA7POLBCA12
SCHEMBL8691068 0.75 CTSK (0.40) POLBHDAC6
SCHEMBL19501305 0.74 POLB (0.31) POLBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749199-B Gibberellic acid derivatives and its preparation method and application 中国农业大学 2019-02-22 CN disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
CN-106749199-A Gibberellic acid derivatives and its preparation method and application 中国农业大学 2017-05-31 CN disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE CHU LIN 2010-06-17 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
CN-101253153-A 6-substituted-2,3,4,5-tetrahydro-1H-benzo[d] azepines as 5-HT2c receptor agonists LILLY CO ELI (US) 2008-08-27 CN disclosed
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
CN-1182123-C Substituted bicyclic derivatives useful as anticancer agents �Ʒ� 2004-12-29 CN disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 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 (6 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 CA1 1416/4885CA2 2226/4885CA14 1390/4885
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A CA1 4728/4885CA2 4730/4885CA14 4651/4885
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE ALOX5, LTC4S, ALOX15 CA1 2892/4885CA2 1972/4885CA14 4385/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 CA1 1416/4885CA2 2226/4885CA14 1390/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A CA1 2016/4885CA2 2193/4885CA14 3579/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CA1 2138/4885CA2 2250/4885CA14 3668/4885

“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.