SCHEMBL6677773

SCHEMBL6677773

C=CCOC(=O)CNCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.43
ABCC4 O15439 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 3/20 0.40
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1161936 0.90 TSHR (0.42) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL1162364 0.84 TSHR (0.42) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL8824252 0.81 TSHR (0.57) TSHRALDH1A1GAACASP1LMNA
SCHEMBL8627637 0.81 MAOA (0.42) TSHRMAPTALDH1A1GAACASP1
SCHEMBL27544693 0.81 TSHR (0.43) TSHRMAPTALDH1A1GAACASP1
SCHEMBL18741294 0.80 TSHR (0.60) TSHRALDH1A1GAASMN1; SMN2EPHX2
SCHEMBL1276353 0.80 TSHR (0.47) TSHRMAPTALDH1A1GAACASP1
SCHEMBL89278 0.79 TSHR (0.41) TSHRMAPTALDH1A1GAACASP1
SCHEMBL87404 0.78 TSHR (0.67) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL2824126 0.78 TSHR (0.61) TSHRMAPTABCC4ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1136475-B1 Piperidine and piperazine compounds for use in the treatment of Alzheimer HOFFMANN LA ROCHE (CH) 2004-08-18 EP disclosed
US-6605723-B2 Reacting a protected amino acid ester with a 4-substituted butyric acid derivative, cyclizing the protected intermediate, benzylating and decarboxylating the intermediate, asymmetric hydrogenation using a catalyst HOFFMAN-LA ROCHE INC. 2003-08-12 US disclosed
US-20010037026-A1 Process for the preparation of ethanesul fonyl-piperidine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2001-11-01 US disclosed
EP-1136475-A1 Piperidine and piperazine compounds for use in the treatment of Alzheimer F. HOFFMANN-LA ROCHE AG (CH) 2001-09-26 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 (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-20010037026-A1 Process for the preparation of ethanesul fonyl-piperidine derivatives GRIN1, GRIN3A, GRIN2B TSHR 1354/4885MAPT 2791/4885ABCC4 676/4885

“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.