SCHEMBL21034779

SCHEMBL21034779

CCNC(=O)OC(C)(C)CCC(C)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CAPN1 P07384 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21034333 0.85 SMN1; SMN2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL21034480 0.84 CTSK (0.36) CYP2D6
SCHEMBL24913317 0.75 SMN1; SMN2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8404812 0.69 EPHX1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL20052127 0.68 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL22651651 0.67 EPHX1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL14617908 0.67 TDP1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL19658204 0.66 MEN1 (0.49) MEN1GAAKMT2ACAPN1
SCHEMBL9476914 0.65 EPHX1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL967503 0.65 TDP1 (0.53) MEN1GAAKMT2ACAPN1

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-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 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 (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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CHRNB2 482/4885CHRNB4 460/4885CHRNA3 207/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CHRNB2 482/4885CHRNB4 460/4885CHRNA3 207/4885

“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.