SCHEMBL21034491

SCHEMBL21034491

CC(C)CNCCCC(C)(C)OC(=O)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
ADRA1A P35348 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CAPN1 P07384 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ATM Q13315 1/20 0.32
NAAA Q02083 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 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
SCHEMBL21034480 0.76 CTSK (0.36) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL19872896 0.75 TSHR (0.41) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL20273063 0.73 CA1 (0.41) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL3587014 0.70 ACACB (0.46) TSHRADRA1ATDP1SCN1ASCN2A
SCHEMBL8020395 0.70 MEN1 (0.57) CTSKTDP1CA1CA2CA7
SCHEMBL16925627 0.70 MAOA (0.60) TDP1CA1CA2CA7CAPN1
SCHEMBL20691444 0.70 CA1 (0.41) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL23945701 0.69 HRH4 (0.34) CA2
SCHEMBL20215845 0.69 TSHR (0.42) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL86148 0.69 CA1 (0.45) CTSKCA1CA2CA7CAPN1

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 CTSK 4137/4885TSHR 1842/4885LMNA 4586/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CTSK 4137/4885TSHR 1842/4885LMNA 4586/4885

“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.