SCHEMBL3733593

SCHEMBL3733593

N[C@]1(C(=O)O)CC2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
GRM2 Q14416 10/20 0.40
GRM6 O15303 8/20 0.40
GRM4 Q14833 7/20 0.40
GRM5 P41594 5/20 0.40
GRM3 Q14832 5/20 0.40
GRM1 Q13255 4/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.36
GRM8 O00222 4/20 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
SCHEMBL202772 1.00 SLC6A4 (0.41) SLC6A4GRM2GRM6GRM4GRM5
SCHEMBL26746340 1.00 SLC6A4 (0.41) SLC6A4GRM2GRM6GRM4GRM5
Water SCHEMBL10753838 0.98 SLC6A4 (0.40) SLC6A4GRM2GRM6GRM4GRM5
Water SCHEMBL10753833 0.98 SLC6A4 (0.40) SLC6A4GRM2GRM6GRM4GRM5
SCHEMBL22582250 0.87 GRM2 (0.47) SLC6A4GRM2GRM6GRM4GRM5
SCHEMBL8663610 0.85 THRB (0.48) SLC6A4GRM2GRM6GRM4GRM5
SCHEMBL2009762 0.83 THRB (0.35) THRBCYP2C9HSD11B1
SCHEMBL9457723 0.83 THRB (0.35) THRBCYP2C9HSD11B1
SCHEMBL7976925 0.82 GRM2 (0.43) SLC6A4GRM2GRM6GRM4GRM5
SCHEMBL26747648 0.82 SLC1A2 (0.37) THRBCYP2C9HSD11B1

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-8722014-B2 1 H-[1, 2, 3] triazole substituted amino acids and uses thereof WASHINGTON UNIVERSITY (US) 2014-05-13 US disclosed
US-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2010-11-04 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 (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-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF SLC7A1, SLC1A5, SLC1A3 SLC6A4 40/4885GRM2 1187/4885GRM6 1944/4885

“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.