SCHEMBL17359193

SCHEMBL17359193

CC(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)C(C)C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 2/20 0.33
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
ENPP2 Q13822 1/20 0.31
GPR139 Q6DWJ6 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
SCHEMBL20126635 0.95 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2TDP1ELANE
SCHEMBL17351857 0.95 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2TDP1ELANE
SCHEMBL15937165 0.95 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2TDP1ELANE
SCHEMBL17351889 0.87 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL17351840 0.86 GRIN2B (0.31) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL15937173 0.86 GRIN2B (0.31) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL17359164 0.85
SCHEMBL17359160 0.85 KDM4E (0.31) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL20126630 0.85 KDM4E (0.31) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL17351861 0.83 GRIN2B (0.49) ALDH1A1KDM4ESMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ALDH1A1 2288/4885KDM4E 2649/4885SMN1; SMN2 913/4885

“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.