SCHEMBL15937159

SCHEMBL15937159

CC1NC(=O)C12CCCN2C(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 4/20 0.45
CTSB P07858 2/20 0.45
CCR1 P32246 2/20 0.45
CAPN1 P07384 3/20 0.44
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 1/20 0.43
PREP P48147 2/20 0.42
CASP1 P29466 2/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40

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
SCHEMBL19333018 0.82 CAPN1 (0.41) CTSLCTSSCTSKCTSBCCR1
SCHEMBL15937145 0.82 CTSL (0.47) CTSLCTSSCTSKCTSBCCR1
SCHEMBL19333020 0.81 CTSL (0.41) CTSLCTSSCTSKCTSBCCR1
SCHEMBL17356215 0.81 CTSK (0.43) CTSLCTSSCTSKCTSBCCR1
SCHEMBL17352423 0.81 CTSK (0.43) CTSLCTSSCTSKCTSBCCR1
SCHEMBL15924794 0.81 HTR2C (0.47)
SCHEMBL15937156 0.77 CAPN1 (0.39) CTSLCTSSCTSKCTSBCCR1
SCHEMBL17356219 0.76 CAPN1 (0.47) CTSLCTSSCTSKCTSBCCR1
SCHEMBL17281441 0.75 CCR1 (0.50) CTSLCTSSCTSKCTSBCCR1
SCHEMBL20329133 0.75 CAPN1 (0.40) CTSLCTSSCTSKCTSBCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-28 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
WO-2014120786-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 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 (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-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSS 4304/4885CTSK 4114/4885
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSS 4304/4885CTSK 4114/4885

“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.