SCHEMBL1705362

SCHEMBL1705362

O[C@@H]1CCCC[C@H]1N=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.42
THRB P10828 2/20 0.41
ACHE P22303 3/20 0.40
BACE1 P56817 3/20 0.40
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SLC18A3 Q16572 5/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL1705363 1.00 L3MBTL1 (0.49) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL6397984 1.00 L3MBTL1 (0.49) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL12995094 1.00 L3MBTL1 (0.49) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL1755571 1.00 L3MBTL1 (0.49) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL13754804 0.87 L3MBTL1 (0.56) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL2680934 0.87 L3MBTL1 (0.56) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL4893960 0.87 L3MBTL1 (0.56) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL13957726 0.87 L3MBTL1 (0.56) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL1755570 0.79 L3MBTL1 (0.45) L3MBTL1KMT2ATHRBACHEBACE1
SCHEMBL11836200 0.78 L3MBTL1 (0.41) L3MBTL1KMT2ATHRBACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203562-B1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS BV (NL) 2012-04-18 EP disclosed
US-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS B.V. (NL) 2010-12-02 US disclosed
US-6939986-B2 Process for preparing 1,2-diamino compounds HOFFMANN-LA ROCHE INC. (US) 2005-09-06 US disclosed
EP-1059283-B1 Process for preparing neuraminidase inhibitor ro-64-0796 HOFFMANN LA ROCHE (CH) 2003-05-28 EP disclosed
US-6437171-B1 AZIDE-FREE; PREPARING 2-AMINOALCOHOLS FROM 1,2-EPOXIDES AND AN AMINE; PROTECTING THE FREE AMINO GROUP, HYDROXY LEAVING GROUP, DEPROTECTING, REACTING WITH AN AMINE, ACYLATING, DEPROTECTING HOFFMAN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020095040-A1 Process for preparing 1,2-diamino compounds KARPF MARTIN (CH) 2002-07-18 US disclosed
EP-1059283-A1 Process for preparing neuraminidase inhibitor ro-64-0796 F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 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 (2 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-20020095040-A1 Process for preparing 1,2-diamino compounds AOC1, UGT1A1, THPO L3MBTL1 4837/4885KMT2A 1119/4885THRB 4819/4885
US-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL ADH1C, ACOT7, ADH5 L3MBTL1 1357/4885KMT2A 976/4885THRB 362/4885

“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.