SCHEMBL3339877

SCHEMBL3339877

CCN(CC)CC[C](C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.38
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NFKB1 P19838 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TERT O14746 5/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL27486960 0.77 PAOX (0.35) PAOX
SCHEMBL11621725 0.77 PAOX (0.35) PAOXALDH1A1
SCHEMBL2178380 0.77 PAOX (0.53) PAOXLMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL22771833 0.75 PAOX (0.34) PAOXPOLBMEN1KMT2ANPSR1
SCHEMBL27500557 0.75 PAOX (0.34) PAOXLMNATERTNPSR1
SCHEMBL27854645 0.73 PAOX (0.41) PAOXLMNAALDH1A1MEN1KMT2A
SCHEMBL3066861 0.73 ALDH1A1 (0.52) PAOXALDH1A1NPSR1
SCHEMBL2503661 0.73 PAOX (0.33) PAOX
Iodomethane SCHEMBL11880494 0.73 PAOX (0.50) PAOXLMNAALDH1A1NFKB1KCNH2
SCHEMBL11668478 0.73 LMNA (0.61) PAOXLMNAALDH1A1TERTTSHR

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
EP-3991963-A1 MULTILAYER SHEET COMPRISING A FOAMED LAYER SUITABLE FOR FOOD PACKAGING Borealis AG (AT) 2022-05-04 EP disclosed
US-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes ASTRAZENECA AB (SE) 2010-06-24 US disclosed
EP-2014716-A1 Polymer composition with high impact resistance and high melt strength Borealis Technology Oy (FI) 2009-01-14 EP disclosed
EP-2000504-A1 Polymer composition with high impact resistance and high melt strength Borealis Technology Oy (FI) 2008-12-10 EP disclosed
US-20080200673-A1 Process for The Preparation of Sulfonic Acid Salts of Oxabispidines ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20070197519-A1 New Process For The Preparation Of Oxabispidines ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-7169921-B2 Process for the preparation of oxabispidines ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7012083-B2 Compounds useful in therapy PFIZER INC. (US) 2006-03-14 US disclosed
US-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1385850-B1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2004-12-08 EP disclosed
US-20040181060-A1 Process for the preparation of oxabispidines ASTRAZENECA AB (SE) 2004-09-16 US disclosed
US-6716834-B2 ANTICOAGULANTS. ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1283837-B1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-25 EP disclosed
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2003-11-27 US disclosed
US-6479516-B1 TREATMENT OF PRURITIC DERMATOSES INCLUDING ALLERGIC DERMATITIS AND ATOPY IN ANIMALS AND HUMANS PFIZER INC 2002-11-12 US disclosed
US-20020099214-A1 Compounds useful in therapy PFIZER INC. (US) 2002-07-25 US disclosed
EP-1072594-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1072596-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP 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 (7 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-20020099214-A1 Compounds useful in therapy HRH2, ITCH, HRH4 PAOX 1424/4885LMNA 4012/4885ALDH1A1 306/4885
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors SERPINC1, F2, TFPI PAOX 4099/4885LMNA 3288/4885ALDH1A1 1261/4885
US-20080200673-A1 Process for The Preparation of Sulfonic Acid Salts of Oxabispidines RPS3, RPS3A, STS PAOX 2320/4885LMNA 3005/4885ALDH1A1 2238/4885
US-20070197519-A1 New Process For The Preparation Of Oxabispidines TST, IDH3B, INTS6 PAOX 1265/4885LMNA 3727/4885ALDH1A1 47/4885
US-20040181060-A1 Process for the preparation of oxabispidines ADH1C, ADH1A, CYP2E1 PAOX 1685/4885LMNA 2379/4885ALDH1A1 15/4885
US-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates AOX1, DHODH, DHRS9 PAOX 574/4885LMNA 1696/4885ALDH1A1 42/4885
US-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes CYP2D6, KCNH1, CYP2B6 PAOX 2142/4885LMNA 502/4885ALDH1A1 259/4885

“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.