SCHEMBL19851209

SCHEMBL19851209

O=C1NCCC12CN(Cc1ccccc1)CCN2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.50
OPRM1 P35372 3/20 0.50
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
CYP2D6 P10635 2/20 0.45
SIGMAR1 Q99720 4/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A9 P48067 1/20 0.42
GAA P10253 1/20 0.41
NR3C1 P04150 1/20 0.40
DRD2 P14416 2/20 0.39
CACNA1F O60840 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL19851192 0.88 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL19851211 0.87 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL19851178 0.86 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL19839177 0.86 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL25311909 0.84 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL1555927 0.82 SLC6A9 (0.50) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL21104902 0.82 CYP2D6 (0.46) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL25875252 0.82 CYP2D6 (0.46) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL25875253 0.82 CYP2D6 (0.46) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL25312897 0.81 RAB9A (0.42) OPRL1OPRM1OPRD1OPRK1CYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 US disclosed
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 US disclosed
US-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2023-04-27 US disclosed
US-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2023-04-27 US disclosed
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
US-11376250-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2022-07-05 US disclosed
US-20210322406-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-10-21 US disclosed
US-10918637-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-02-16 US disclosed
WO-2021021996-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR APTINYX INC. (US) 2021-02-04 WO disclosed
US-20190175588-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-06-13 US disclosed
WO-2018026782-A1 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 (7 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-11376250-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A OPRL1 27/4885OPRM1 35/4885OPRD1 38/4885
US-20190175588-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A OPRL1 27/4885OPRM1 35/4885OPRD1 38/4885
US-20210322406-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A OPRL1 27/4885OPRM1 35/4885OPRD1 38/4885
US-10918637-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A OPRL1 27/4885OPRM1 35/4885OPRD1 38/4885
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP OPRL1 1783/4885OPRM1 2893/4885OPRD1 2074/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 OPRL1 55/4885OPRM1 353/4885OPRD1 150/4885
US-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A OPRL1 27/4885OPRM1 35/4885OPRD1 38/4885

“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.