SCHEMBL21034481

SCHEMBL21034481

CCCCCCC1CCC2(CC1)CN(PC1CC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 3/20 0.30
NAAA Q02083 1/20 0.30
HLCS P50747 1/20 0.30
CYP19A1 P11511 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
SCHEMBL24178858 0.94 CYP1A2 (0.36) CYP1A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL21034292 0.83 KDM4E (0.36) HTTALDH1A1
SCHEMBL24178860 0.75 KDM4E (0.32) ALDH1A1
SCHEMBL10485037 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10484996 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10485094 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10485376 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10484778 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10484879 0.71 CYP1A2 (0.45) CYP1A2MEN1KMT2AHTTPKM
SCHEMBL10485065 0.70 CYP1A2 (0.44) CYP1A2MEN1KMT2AHTTPKM

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 CYP1A2 3747/4885MEN1 2365/4885KMT2A 1591/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CYP1A2 3747/4885MEN1 2365/4885KMT2A 1591/4885

“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.