SCHEMBL19853387

SCHEMBL19853387

COc1ccc(CN2CC3(CC(N[C@H](C(N)=O)[C@@H](C)O)CN3)C2O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
LTA4H P09960 1/20 0.33
OPRL1 P41146 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19853386 0.84 MMP1 (0.40) POLBPKMOPRM1MMP1MMP13
SCHEMBL27082280 0.84 MMP1 (0.40) POLBPKMOPRM1MMP1MMP13
SCHEMBL29556937 0.84 MMP1 (0.40) POLBPKMOPRM1MMP1MMP13
SCHEMBL19853460 0.71 OPRM1 (0.41) SIGMAR1OPRM1MMP1MMP13OPRL1
SCHEMBL22946464 0.68 TSHR (0.38) SIGMAR1MMP1MMP13MEN1ALDH1A1
SCHEMBL19838919 0.67 KMT2A (0.39) OPRM1MMP1MMP13OPRL1MEN1
SCHEMBL22086459 0.65 ARG1 (0.30)
SCHEMBL21228097 0.61 CNR1 (0.34) MMP1MMP13MAPTHTT
SCHEMBL22946439 0.58 SIGMAR1 (0.44) SIGMAR1
SCHEMBL21233854 0.58 SIGMAR1 (0.43) SIGMAR1MEN1ALDH1A1MAPTKMT2A

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-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-09-01 US disclosed
WO-2018026792-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO 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-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 POLB 3017/4885PKM 4415/4885SIGMAR1 529/4885

“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.