SCHEMBL14409083

SCHEMBL14409083

N[C@]1(C(=O)O)C[C@H](OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
GRM3 Q14832 1/20 0.47
GRM6 O15303 1/20 0.47
DPP4 P27487 1/20 0.46
EPHX2 P34913 2/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL296907 1.00 GRM2 (0.47) GRM2GRM3GRM6DPP4EPHX2
SCHEMBL23274871 0.85 EPHX2 (0.44) GRM2GRM3DPP4EPHX2CTSL
SCHEMBL7926366 0.84 DPP4 (0.57) GRM2GRM3GRM6DPP4EPHX2
SCHEMBL2640274 0.83 EPHX2 (0.47) GRM2GRM3DPP4EPHX2CTSL
SCHEMBL15306513 0.83 ADAM17 (0.45) DPP4EPHX2ALDH1A1OPRM1OPRL1
SCHEMBL297404 0.83 ADAM17 (0.45) DPP4EPHX2ALDH1A1OPRM1OPRL1
SCHEMBL31471348 0.82 EPHX2 (0.46) GRM2GRM3DPP4EPHX2CTSL
SCHEMBL2787488 0.81 GRM2 (0.45) GRM2GRM3DPP4EPHX2CTSL
SCHEMBL19385743 0.81 OPRM1 (0.46) GRM2GRM3DPP4EPHX2CTSL
SCHEMBL9960560 0.81 EPHX2 (0.45) GRM2GRM3DPP4EPHX2CTSL

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-11083804-B2 Precursor compound of radioactive halogen-labeled organic compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2021-08-10 US disclosed
US-9238596-B2 Process simplification for precursor compound GE HEALTHCARE LIMITED (GB) 2016-01-19 US disclosed
US-9061977-B2 Purification of precursor compound by crystallisation GE HEALTHCARE LIMITED (GB) 2015-06-23 US disclosed
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LIMITED (GB) 2013-10-10 US disclosed
US-7264792-B2 Solid phase preparation of 18F-labelled amino acids GE HEALTHCARE LIMITED (GB) 2007-09-04 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 (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-11083804-B2 Precursor compound of radioactive halogen-labeled organic compound BCAT2, SLCO2B1, ORC3 GRM2 1092/4885GRM3 2855/4885GRM6 2091/4885
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND PAICS, FGB, FIP1L1 GRM2 3391/4885GRM3 2342/4885GRM6 2842/4885
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION RFC1, PAICS, RFC2 GRM2 3358/4885GRM3 2947/4885GRM6 4222/4885

“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.