SCHEMBL5245652

SCHEMBL5245652

COc1ccccc1CC1CCN(OC(=O)C(=O)ON2CCC(Cc3ccccc3OC)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR3 P51677 1/20 0.43
CXCR4 P61073 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL3544423 0.82 ALDH1A1 (0.43) CYP2D6CYP2C9CYP2C19MAPK14ALDH1A1
SCHEMBL7086564 0.77 CYP2C9 (0.60) CYP2D6SMN1; SMN2CYP2C9CYP2C19MAPK14
SCHEMBL3544684 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACCR3HPGD
SCHEMBL27943924 0.76 CYP2C9 (0.55) CYP2D6SMN1; SMN2CYP2C9CYP2C19MAPK14
SCHEMBL27597066 0.74 CYP2C9 (0.50) CYP2D6CYP2C9CYP2C19MAPK14MEN1
SCHEMBL14047747 0.74 HRH3 (0.53) CYP2D6ALDH1A1MEN1KMT2AHTR1A
SCHEMBL23886286 0.74 CYP2D6 (0.53) CYP2D6ALDH1A1HTR1ASLC6A4
SCHEMBL23119230 0.72 KDM4E (0.55) CYP2C9CYP2C19MAPK14ALDH1A1MEN1
Acetic Acid SCHEMBL11160294 0.72 SMN1; SMN2 (0.53) CYP2D6SMN1; SMN2CYP2C9CYP2C19MAPK14
SCHEMBL7081823 0.72 MEN1 (0.46) SMN1; SMN2CYP2C9CYP2C19MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS CYP2D6 133/4885SMN1; SMN2 4589/4885CYP2C9 36/4885

“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.