SCHEMBL15937178

SCHEMBL15937178

CC(=O)O[C@H](C)[C@H](N)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
TBXA2R P21731 1/20 0.35
BLM P54132 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC7A5 Q01650 1/20 0.33
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
PMP22 Q01453 1/20 0.32
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP2C9 P11712 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
SCHEMBL17351893 1.00 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL420691 0.83 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29924875 0.83 LMNA (0.40) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL684104 0.83 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL678144 0.81 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3449733 0.81 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL678145 0.81 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17359179 0.78 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5225767 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18760226 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R

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 11 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-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 TSHR 1558/4885CHRM2 559/4885CHRM4 335/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1558/4885CHRM2 559/4885CHRM4 335/4885

“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.