SCHEMBL5129664

SCHEMBL5129664

CC(=O)Oc1cccc(C2([C@@H]3CCN(C(=O)Cc4ccccc4)C3)CCCC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
TACR3 P29371 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5129667 1.00 ALDH1A1 (0.45) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL5129662 0.88 ALDH1A1 (0.46) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL5113687 0.76 CHRM2 (0.35) ALDH1A1LMNAOPRD1OPRK1TSHR
SCHEMBL5113690 0.76 CHRM2 (0.35) ALDH1A1LMNAOPRD1OPRK1TSHR
SCHEMBL5918459 0.76 OPRM1 (0.35) OPRD1OPRK1
SCHEMBL5113973 0.71 CHRM5 (0.48) OPRD1OPRK1KMT2A
SCHEMBL11244817 0.70 ALDH1A1 (0.54) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL11553191 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1
SCHEMBL11552628 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1
SCHEMBL11552626 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1

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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 US claimed
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists CHRM3, CHRM1, CHRM5 ALDH1A1 821/4885POLB 2285/4885TACR3 37/4885

“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.