SCHEMBL21034514

SCHEMBL21034514

CCCCCC1CCC2(CC1)CN(CC(N)=O)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
CYP1A2 P05177 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
CCR2 P41597 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
ABHD16A O95870 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL21034780 0.75 PKM (0.33) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL19853794 0.73 APEX1 (0.35) PKMOPRM1OPRL1APEX1BLM
SCHEMBL563774 0.72 APEX1 (0.54) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL21034922 0.71 OPRK1 (0.35) OPRM1OPRL1APEX1BLMTSHR
SCHEMBL21034481 0.69 CYP1A2 (0.36) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL10602581 0.69 CYP1A2 (0.46) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL21237510 0.68 TSHR (0.40) OPRM1OPRL1APEX1BLMTSHR
SCHEMBL10485037 0.67 CYP1A2 (0.45) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL10484879 0.67 CYP1A2 (0.45) PKMCYP1A2HTTMEN1KMT2A
SCHEMBL10485376 0.67 CYP1A2 (0.45) PKMCYP1A2HTTMEN1KMT2A

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 PKM 649/4885CYP1A2 3747/4885HTT 1769/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A PKM 649/4885CYP1A2 3747/4885HTT 1769/4885

“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.