SCHEMBL6580113

SCHEMBL6580113

N[C@H](Cc1ccccc1)[C@@H](O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.44
EPHX1 P07099 1/20 0.44
CSNK1E P49674 1/20 0.43
EPHX2 P34913 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ANPEP P15144 3/20 0.40
ERAP2 Q6P179 2/20 0.40

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
SCHEMBL7357671 1.00 SLC15A1 (0.44) SLC15A1EPHX1CSNK1EEPHX2ALPI
SCHEMBL11998010 1.00 SLC15A1 (0.44) SLC15A1EPHX1CSNK1EEPHX2ALPI
SCHEMBL11998023 1.00 SLC15A1 (0.44) SLC15A1EPHX1CSNK1EEPHX2ALPI
SCHEMBL10871667 0.98 EPHX2 (0.45) SLC15A1EPHX1CSNK1EEPHX2ALPI
SCHEMBL27356477 0.83 SLC15A1 (0.44) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7283349 0.83 SLC15A1 (0.44) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL11998020 0.82 SLC1A1 (0.46) EPHX1TAAR1
SCHEMBL11998017 0.81 SLC15A1 (0.40) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL4368684 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL11998014 0.80 CSNK1E (0.41) SLC15A1EPHX1CSNK1EALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A SLC15A1 4027/4885EPHX1 3565/4885CSNK1E 4352/4885

“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.