SCHEMBL15937231

SCHEMBL15937231

CC1N(Cc2ncno2)C(=O)C12CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
BACE1 P56817 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL20329125 1.00 CTSL (0.32) CTSLCTSBCTSKGRIN2BGRIN2C
SCHEMBL17679130 0.83 GRIN2B (0.39) CTSLCTSBCTSKGRIN2BGRIN2C
SCHEMBL17356196 0.83 GRIN2B (0.39) CTSLCTSBCTSKGRIN2BGRIN2C
SCHEMBL17352431 0.77 GRIN2B (0.32) GRIN2BGRIN2C
SCHEMBL15937236 0.75 BACE1 (0.31) BACE1
SCHEMBL17356217 0.74
SCHEMBL15937238 0.74
SCHEMBL15937156 0.72 CAPN1 (0.39) CTSLCTSBCTSK
SCHEMBL17356201 0.69 GRIN2B (0.41) CTSLCTSBCTSKGRIN2BGRIN2C
SCHEMBL17352408 0.69 GRIN2B (0.41) CTSLCTSBCTSKGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-04-30 US disclosed
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-28 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
WO-2014120786-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO 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 (3 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-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSB 4409/4885CTSK 4114/4885
US-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSB 4409/4885CTSK 4114/4885
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSB 4409/4885CTSK 4114/4885

“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.