SCHEMBL20130441

SCHEMBL20130441

NC(=O)CN1CC2(CCCN2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19852920 0.86 TSHR (0.42) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21233890 0.83 TSHR (0.36) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL23009671 0.80 TSHR (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21238958 0.80 TSHR (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL17351894 0.79 ELANE (0.42) TSHRKMT2A
SCHEMBL15937076 0.76 CHRM5 (0.31)
SCHEMBL17359165 0.76 CHRM5 (0.31)
SCHEMBL19853769 0.73 TSHR (0.44) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL15937141 0.73 PIK3CD (0.39)
SCHEMBL15937245 0.72

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 1 patent. 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

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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1558/4885APEX1 4074/4885BLM 3562/4885

“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.