SCHEMBL15937101

SCHEMBL15937101

C[C@@H](O)[C@H](NC(=O)CN1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
LMNA P02545 1/20 0.38
ELANE P08246 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
SCHEMBL17351809 1.00 GRIN2B (0.41) GRIN2BGRIN2CIL1RNERAP2ERAP1
SCHEMBL19129148 0.94 IL1RN (0.42) IL1RNERAP2ERAP1CTSLLMNA
SCHEMBL15937244 0.90 IL1RN (0.36) GRIN2BGRIN2CIL1RNERAP2ERAP1
SCHEMBL20126641 0.90 IL1RN (0.36) GRIN2BGRIN2CIL1RNERAP2ERAP1
SCHEMBL17351899 0.90 IL1RN (0.36) GRIN2BGRIN2CIL1RNERAP2ERAP1
SCHEMBL15937085 0.90 CCR1 (0.40) IL1RNERAP2ERAP1CTSLCTSS
SCHEMBL19134497 0.86 GRIN2B (0.41) GRIN2BGRIN2CLMNA
SCHEMBL17356203 0.85 ALDH1A1 (0.39)
SCHEMBL15937253 0.83 ATM (0.34) IL1RNERAP2ERAP1LMNA
SCHEMBL17359168 0.82 CYP2C19 (0.42)

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 10 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-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
EP-2951185-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2016-12-21 EP disclosed
EP-2951185-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2016-12-21 EP disclosed
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 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
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
WO-2014120800-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 (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 GRIN2B 5/4885GRIN2C 4/4885IL1RN 160/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885IL1RN 160/4885

“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.