SCHEMBL15937249

SCHEMBL15937249

CCOC(=O)c1c(C)nnn1Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SLC26A6 Q9BXS9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL15937241 0.82 TP53 (0.54) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL15936869 0.82 CYP19A1 (0.63) ALDH1A1POLBLMNASMN1; SMN2CYP19A1
SCHEMBL15937184 0.80 TP53 (0.48) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL10662829 0.76 TP53 (0.59) ALDH1A1TP53LMNASMN1; SMN2NPSR1
SCHEMBL175092 0.76 TP53 (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL30223258 0.76 TP53 (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL16082690 0.75 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL17611010 0.75 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL20211712 0.75 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL15964665 0.75 CYP1A2 (0.54) KMT2AMEN1ALDH1A1POLBKDM4E

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 KMT2A 1466/4885MEN1 2012/4885ALDH1A1 2288/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KMT2A 1466/4885MEN1 2012/4885ALDH1A1 2288/4885

“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.