SCHEMBL3058053

SCHEMBL3058053

NCC1(N2CCCCC2)CC(COCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL3046455 0.78 CTSL (0.51) CTSLCTSBCTSKNAAALMNA
SCHEMBL4644396 0.78 CTSL (0.48) CTSLCTSBCTSKNAAATAAR1
SCHEMBL15927876 0.75 CTSL (0.43) CTSLCTSBCTSKNAAALMNA
SCHEMBL1613917 0.70 TSHR (0.48) CTSLCTSBCTSKNAAALMNA
SCHEMBL9394261 0.70 TSHR (0.48) CTSLCTSBCTSKNAAALMNA
SCHEMBL2701945 0.70 CTSL (0.53) CTSLCTSBCTSKNAAATAAR1
SCHEMBL9813742 0.69 CTSL (0.46) CTSLCTSBCTSKNAAALMNA
Hydrochloric Acid SCHEMBL30384626 0.69 CTSL (0.51) CTSLCTSBCTSKNAAATSHR
SCHEMBL4677170 0.68 TSHR (0.54) CTSLCTSBCTSKNAAALMNA
SCHEMBL6649338 0.68 TSHR (0.54) CTSLCTSBCTSKNAAALMNA

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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 CTSL 3860/4885CTSB 2577/4885CTSK 3303/4885

“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.