SCHEMBL4533970

SCHEMBL4533970

CCOC(=O)C[C@@H]1CCN([C@H](C)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM4 P08173 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL844722 0.88 LMNA (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL6631278 0.88 LMNA (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL844128 0.84 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL8564803 0.84 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL4673678 0.84 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL8566029 0.84 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL21157388 0.84 OPRD1 (0.48) LMNAALDH1A1KDM4ETSHR
SCHEMBL9819235 0.81 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL21641193 0.81 CACNA2D1 (0.50) TSHR
SCHEMBL15383657 0.80 ALDH1A1 (0.63) SMN1; SMN2HTTALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 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 (3 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SMN1; SMN2 2905/4885LMNA 1979/4885HTT 3726/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SMN1; SMN2 2666/4885LMNA 2377/4885HTT 4110/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SMN1; SMN2 2971/4885LMNA 1931/4885HTT 3708/4885

“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.