SCHEMBL17359183

SCHEMBL17359183

CC(C)[C@H](NC(=O)OCc1ccccc1)c1nnco1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ELANE P08246 2/20 0.47
TACR1 P25103 1/20 0.47
CTSK P43235 4/20 0.46
PRTN3 P24158 1/20 0.45
CTRB1 P17538 2/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44

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
SCHEMBL19134487 0.92 ATM (0.58) ATMELANETACR1CTSKCTRB1
SCHEMBL15936992 0.85 ATM (0.51) ATMELANETACR1CTSKCTSL
SCHEMBL16847646 0.80 ATM (0.68) ATMELANETACR1CTSKPRTN3
SCHEMBL8295707 0.78 ATM (0.57) ATMELANECTSKPRTN3CTRB1
SCHEMBL16847645 0.77 ATM (0.64) ATMELANETACR1CTSKCTSL
SCHEMBL17357789 0.77 ATM (0.52) ATMTACR1CTRB1CTSLCTSS
SCHEMBL7329364 0.77 ATM (0.57) ATMELANETACR1CTSKPRTN3
SCHEMBL16829101 0.76 ATM (0.53) ATMELANECTSKPRTN3CTRB1
SCHEMBL21048451 0.76 ATM (0.53) ATMELANECTSKPRTN3CTRB1
SCHEMBL19388339 0.75 ATM (0.55) ATMELANETACR1CTSKPRTN3

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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-05-10 US disclosed
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 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 (2 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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ATM 2196/4885ELANE 4270/4885TACR1 41/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ATM 2196/4885ELANE 4270/4885TACR1 41/4885

“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.