SCHEMBL2800671

SCHEMBL2800671

CC(c1cccc([C@H](C)N(C)C)c1)N(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.54
BCHE P06276 11/20 0.50
FAAH O00519 1/20 0.49
MTOR P42345 1/20 0.46
MARK4 Q96L34 1/20 0.46
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL21802669 0.88 MEN1 (0.46) ACHEBCHEFAAHMTORMARK4
SCHEMBL1520362 0.83 MTOR (0.62) MTORMEN1MAPTCYP2C9KMT2A
Benzene SCHEMBL28986126 0.83 MTOR (0.62) MTORMEN1MAPTCYP2C9KMT2A
SCHEMBL3629562 0.79 ACHE (0.51) ACHEBCHEFAAHMTORMARK4
SCHEMBL1561077 0.77 ACHE (0.49) ACHEBCHEFAAHMARK4MEN1
SCHEMBL1561101 0.77 ACHE (0.49) ACHEBCHEFAAHMARK4MEN1
SCHEMBL24222513 0.77 ACHE (0.50) ACHEBCHEFAAHMARK4MEN1
SCHEMBL8201572 0.75 ACHE (0.75) ACHEBCHEFAAHMARK4ALOX5
SCHEMBL8191585 0.75 ACHE (0.75) ACHEBCHEFAAHMARK4ALOX5
SCHEMBL3891099 0.74 ACHE (0.52) ACHEBCHEFAAHMARK4MEN1

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
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
EP-2711354-B1 PREPARATION METHOD FOR RIVASTIGMINE, INTERMEDIATES THEREOF, AND PREPARATION METHOD FOR SAID INTERMEDIATES ZHEJIANG HISUN PHARM CO LTD (CN) 2018-02-21 EP disclosed
US-9353049-B2 Preparation method for rivastigmine, intermediates thereof, and preparation method for said intermediates ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-05-31 US disclosed
EP-2711354-A1 PREPARATION METHOD FOR RIVASTIGMINE, INTERMEDIATES THEREOF, AND PREPARATION METHOD FOR SAID INTERMEDIATES Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2014-03-26 EP disclosed
US-20140073809-A1 PREPARATION METHOD FOR RIVASTIGMINE, INTERMEDIATES THEREOF, AND PREPARATION METHOD FOR SAID INTERMEDIATES SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-03-13 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-20140073809-A1 PREPARATION METHOD FOR RIVASTIGMINE, INTERMEDIATES THEREOF, AND PREPARATION METHOD FOR SAID INTERMEDIATES ACHE, PSEN1, CHRM5 ACHE 1/4885BCHE 8/4885FAAH 856/4885

“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.