SCHEMBL1922643

SCHEMBL1922643

CCCCCOC(CCN)CCCCC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.59
TLR2 O60603 6/20 0.43
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
OPRM1 P35372 1/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL3502221 1.00 DNM1 (0.59) DNM1TLR2ALDH1A1CNR1CNR2
SCHEMBL2352070 0.98 DNM1 (0.62) DNM1TLR2ALDH1A1LPAR1LPAR3
SCHEMBL3241476 0.88 DNM1 (0.60) DNM1TLR2ALDH1A1
SCHEMBL7943647 0.88 DNM1 (0.59) DNM1TLR2ALDH1A1
SCHEMBL7943619 0.88 DNM1 (0.59) DNM1TLR2ALDH1A1
SCHEMBL7941081 0.88 DNM1 (0.59) DNM1TLR2ALDH1A1
SCHEMBL1151950 0.88 DNM1 (0.59) DNM1TLR2ALDH1A1
SCHEMBL11189857 0.87 DNM1 (0.61) DNM1TLR2ALDH1A1CNR1CNR2
SCHEMBL17263911 0.87 DNM1 (0.61) DNM1TLR2ALDH1A1CNR1CNR2
SCHEMBL5532689 0.87 DNM1 (0.61) DNM1TLR2ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200340025-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-10-29 US claimed
US-10006069-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2018-06-26 US claimed
US-20170226546-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-08-10 US claimed
US-9657320-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2017-05-23 US claimed
US-20160083759-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-03-24 US claimed
US-9228213-B2 Polynucleotides encoding engineered ketoreductase polypeptides CODEXIS, INC. (US) 2016-01-05 US claimed
EP-2329013-B1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS INC (US) 2015-10-28 EP claimed
US-20150031094-A1 POLYNUCLEOTIDES ENCODING ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-01-29 US claimed
US-8426178-B2 Ketoreductase polypeptides for the production of a 3-aryl-3-hydroxypropanamine from a 3-aryl-3-ketopropanamine CODEXIS, INC. (US) 2013-04-23 US claimed
US-8288141-B2 Ketoreductase polypeptides for the production of 3-aryl-3-hydroxypropanamine from a 3-aryl-3-ketopropanamine CODEXIS, INC. (US) 2012-10-16 US claimed
EP-2329013-A2 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE Codexis, Inc. (US) 2011-06-08 EP claimed
US-20100173369-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS, INC. (US) 2010-07-08 US claimed
US-20100151534-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS, INC. (US) 2010-06-17 US claimed
WO-2010025287-A2 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS, INC. (US) 2010-03-04 WO claimed
WO-2010025238-A2 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE CODEXIS, INC. (US) 2010-03-04 WO claimed
CN-116217413-A Synthesis method of key intermediate N-methyl-3-hydroxyamphetamine 山东新时代药业有限公司 2023-06-06 CN disclosed
US-20230104779-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-04-06 US disclosed
WO-2006009884-A1 3-ARYLOXY-3-ARYLPROPYLAMINE SYNTHESIS DR. REDDY'S LABORATORIES LTD. (IN) 2006-01-26 WO disclosed
EP-0318727-B1 Aryloxphenylpropylamines and their preparation and use NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
US-4296126-A 3-Aryloxy-3-aryl-propaneamines and their method of use ROUSSEL UCLAF (FR) 1981-10-20 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 (1 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-20100173369-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE PNMT, KMO, RNGTT DNM1 3929/4885TLR2 3710/4885ALDH1A1 354/4885

“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.