SCHEMBL15937210

SCHEMBL15937210

C/C(NCc1ccc(C)cc1)=C(/N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.51
KMT2A Q03164 11/20 0.50
MEN1 O00255 8/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK14 Q16539 1/20 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
SCHEMBL15937212 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL15937097 0.83 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL15937211 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL28050187 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL5528831 0.78 CYP2C9 (0.66) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL3662909 0.78 SMN1; SMN2 (0.71) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL171709 0.76 KMT2A (0.66) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL2730689 0.74 SMN1; SMN2 (0.85) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL27462347 0.74 SMN1; SMN2 (0.60) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL5933202 0.72 SMN1; SMN2 (0.63) SMN1; SMN2LMNAKMT2AMEN1NPC1

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 8 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
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
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 SMN1; SMN2 913/4885LMNA 4431/4885KMT2A 1466/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SMN1; SMN2 913/4885LMNA 4431/4885KMT2A 1466/4885

“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.