SCHEMBL2800673

SCHEMBL2800673

CCN(Cc1cccc([C@H](C)N(C)C)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.50
BCHE P06276 10/20 0.50
FAAH O00519 1/20 0.50
LMNA P02545 1/20 0.49
MARK4 Q96L34 1/20 0.47
OPRD1 P41143 1/20 0.45
PTGES O14684 4/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3945832 1.00 ACHE (0.50) ACHEBCHEFAAHLMNAMARK4
Cadaverine Tartrate SCHEMBL3946120 0.94 ACHE (0.57) ACHEBCHEFAAHLMNAMARK4
SCHEMBL3458221 0.77 ACHE (0.59) ACHEBCHEFAAHMARK4
SCHEMBL1195514 0.77 LMNA (0.78) LMNAALDH1A1
SCHEMBL16103423 0.76 ACHE (0.48) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL16103422 0.76 ACHE (0.48) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL951920 0.75 LMNA (0.56) LMNAPPARGALDH1A1
SCHEMBL6183303 0.75 PTGES (0.62) LMNAPTGESPPARGALDH1A1
SCHEMBL3891099 0.74 ACHE (0.52) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL11142759 0.73 LMNA (0.64) LMNAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637713-B2 Process for preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2014-01-28 US claimed
US-8415508-B2 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2013-04-09 US claimed
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2010-07-01 US claimed
US-7544840-B2 Method of production of (−)-(S)-3-[1-(dimethylamino)ethyl]phenyl-N-ethyl-N-methylcarbamate ZENTIVA, A.S. (CZ) 2009-06-09 US claimed
EP-1556338-B1 A METHOD OF PRODUCTION OF (-)-(S)-3- [1-(DIMETHYLAMINO)ETHYL] PHENYL-N-ETHYL-N-METHYLCARBAMATE ZENTIVA AS (CZ) 2008-05-14 EP claimed
US-20060122417-A1 Method of production of (-)-(s)-3-[1-(dimethylamino)ethyl]phenyl-n-ethyl-n-methylcarbamate ZENTIVA, A.S. (CZ) 2006-06-08 US claimed
EP-0952826-B1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-14 EP claimed
US-7544840-B2 Method of production of (−)-(S)-3-[1-(dimethylamino)ethyl]phenyl-N-ethyl-N-methylcarbamate ZENTIVA, A.S. (CZ) 2009-06-09 US disclosed
US-7544840-B2 Method of production of (−)-(S)-3-[1-(dimethylamino)ethyl]phenyl-N-ethyl-N-methylcarbamate ZENTIVA, A.S. (CZ) 2009-06-09 US disclosed
EP-1556338-B1 A METHOD OF PRODUCTION OF (-)-(S)-3- [1-(DIMETHYLAMINO)ETHYL] PHENYL-N-ETHYL-N-METHYLCARBAMATE ZENTIVA AS (CZ) 2008-05-14 EP disclosed
US-20060122417-A1 Method of production of (-)-(s)-3-[1-(dimethylamino)ethyl]phenyl-n-ethyl-n-methylcarbamate ZENTIVA, A.S. (CZ) 2006-06-08 US disclosed
US-20060122417-A1 Method of production of (-)-(s)-3-[1-(dimethylamino)ethyl]phenyl-n-ethyl-n-methylcarbamate ZENTIVA, A.S. (CZ) 2006-06-08 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 (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-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation SPR, ACHE, QDPR ACHE 2/4885BCHE 33/4885FAAH 760/4885
US-20060122417-A1 Method of production of (-)-(s)-3-[1-(dimethylamino)ethyl]phenyl-n-ethyl-n-methylcarbamate ACHE, BCHE, CHRNA7 ACHE 1/4885BCHE 2/4885FAAH 430/4885

“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.