SCHEMBL15937145

SCHEMBL15937145

C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CNC2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CTSB P07858 3/20 0.46
CTSK P43235 3/20 0.46
CAPN1 P07384 3/20 0.45
CCR1 P32246 2/20 0.45
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMB5 P28074 1/20 0.44
PREP P48147 2/20 0.44
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30801709 0.88 CTSB (0.47) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL17352410 0.83 CTSL (0.46) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL30801737 0.82 CCR1 (0.48) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL15937159 0.82 CTSL (0.48) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL17282838 0.81 PREP (0.49) CTSLCTSBCTSKCAPN1CCR1
SCHEMBL30801704 0.81 CCR1 (0.55) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL7933725 0.80 CTSL (0.46) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL7932040 0.80 CTSL (0.46) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL15937135 0.79 GRIN2B (0.41) CTSLCTSSCTSBCTSKPREP
SCHEMBL7932045 0.79 OPRK1 (0.46) RAB9A

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 4304/4885CTSB 4409/4885
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CTSL 3751/4885CTSS 4304/4885CTSB 4409/4885

“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.