SCHEMBL805196

SCHEMBL805196

CN[C@@H](C(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.44
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MME P08473 1/20 0.36
NPY5R Q15761 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12966499 1.00 GRM7 (0.44) GRM7MTNR1AMTNR1BHRH3MME
SCHEMBL17995302 0.89 MTNR1A (0.48) GRM7MTNR1AMTNR1BNPY5RLMNA
SCHEMBL10442380 0.86 MTNR1A (0.42) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL14898401 0.86 MTNR1A (0.42) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL10442065 0.86 MTNR1A (0.42) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL14979998 0.84 GRM7 (0.41) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL14025206 0.82 GRM7 (0.41) GRM7MTNR1AMTNR1BHRH3MAPT
SCHEMBL21508992 0.82 GRM7 (0.41) GRM7MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL27923521 0.80 GRM7 (0.40) GRM7MTNR1AMTNR1BNPY5ROPRM1
SCHEMBL239019 0.80 GRM7 (0.40) GRM7MTNR1AMTNR1BNPY5ROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT GRM7 3030/4885MTNR1A 3336/4885MTNR1B 2986/4885

“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.