SCHEMBL19627465

SCHEMBL19627465

C[C@@H]1OC(=O)[C@]2(COCc3ccccc3)CCCN12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
TACR1 P25103 3/20 0.35
LIPE Q05469 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34
PREP P48147 1/20 0.34
SLC6A4 P31645 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19627471 1.00 LMNA (0.36) LMNACTSVCTSLCTSBCTSS
SCHEMBL19628503 1.00 LMNA (0.36) LMNACTSVCTSLCTSBCTSS
SCHEMBL19631110 0.83 TACR1 (0.35) LMNACTSVCTSLCTSBCTSS
SCHEMBL19614475 0.83 TACR1 (0.35) LMNACTSVCTSLCTSBCTSS
SCHEMBL15029188 0.83 MEN1 (0.34) LMNACTSVCTSLCTSBCTSS
SCHEMBL25051753 0.83 TACR1 (0.35) LMNACTSVCTSLCTSBCTSS
SCHEMBL19629072 0.74 TACR1 (0.37) LMNACTSVCTSLCTSBCTSS
SCHEMBL26694431 0.71 GRIN1 (0.43) TACR1MEN1KMT2AALDH1A1SLC6A4
SCHEMBL1057324 0.66 KMT2A (0.38) MEN1KMT2AALDH1A1
SCHEMBL20512123 0.64 TACR1 (0.40) LMNATACR1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092879-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-04-05 US disclosed
US-9925169-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2018-03-27 US disclosed
US-20170333395-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2017-11-23 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-20170333395-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A LMNA 4431/4885CTSV 4058/4885CTSL 3751/4885
US-20180092879-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A LMNA 4431/4885CTSV 4058/4885CTSL 3751/4885

“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.