SCHEMBL5145288

SCHEMBL5145288

O=C(C[C@@H]1CCNC1)Oc1cccc(C2CCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
HPGD P15428 5/20 0.37
SSTR4 P31391 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTR2C P28335 2/20 0.35
HTR1A P08908 3/20 0.34

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
SCHEMBL4889901 0.78 PTGDR2 (0.38) SLC6A2SLC6A4CYP2D6KCNH2PTGDR2
SCHEMBL5115681 0.74 TACR3 (0.52)
SCHEMBL5116052 0.73 DRD2 (0.51)
SCHEMBL3681668 0.73 PTGDR2 (0.46) SLC6A2SLC6A4CYP2D6KCNH2PTGDR2
SCHEMBL6180467 0.71 CHRM2 (0.37) CYP2D6SLC6A1CYP1A2CHRM1CYP2C9
SCHEMBL1999955 0.70 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19205318 0.70 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19205356 0.70 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19205359 0.70 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL20476348 0.69 KDM4E (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 US disclosed
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO 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 SLC6A2 2098/4885SLC6A4 2331/4885SLC6A3 875/4885

“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.