SCHEMBL4674416

SCHEMBL4674416

COc1ccc([C@@H]2CC[C@@](N)(C(=O)O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.42
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM5 P41594 1/20 0.41
MTOR P42345 1/20 0.41
GRM1 Q13255 1/20 0.41
PLCB1 Q9NQ66 1/20 0.41
TSHR P16473 1/20 0.41
S1PR3 Q99500 1/20 0.41
SGPL1 O95470 4/20 0.40
S1PR1 P21453 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2048228 1.00 GRM4 (0.42) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL3828109 1.00 GRM4 (0.42) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL2048177 1.00 GRM4 (0.42) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL296142 0.91 ALDH1A1 (0.44) LMNATSHRATML3MBTL1ALDH1A1
SCHEMBL12588188 0.87 OPRK1 (0.41) CYP2C19S1PR3SGPL1S1PR1ATM
SCHEMBL10299840 0.87 OPRK1 (0.41) CYP2C19S1PR3SGPL1S1PR1ATM
SCHEMBL6937542 0.82 GRM4 (0.49) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL23384404 0.81 GRM4 (0.43) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL14144660 0.81 GRM4 (0.45) GRM4GRM2GRM3LMNACYP1A2
SCHEMBL14140573 0.81 GRM4 (0.45) GRM4GRM2GRM3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255367-A1 Process for the preparation and isolation of the individual stereoisomers of 1-amino, 3-substituted phenylcyclopentane-carboxylates ABBVIE INC. 2008-10-16 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-20080255367-A1 Process for the preparation and isolation of the individual stereoisomers of 1-amino, 3-substituted phenylcyclopentane-carboxylates DDC, DNPEP, AAAS GRM4 544/4885GRM2 277/4885GRM3 214/4885

“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.