SCHEMBL7908485

SCHEMBL7908485

CC(C)(C)OC(=O)N1CCCC1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.52
ABHD6 Q9BV23 1/20 0.50
DAGLA Q9Y4D2 1/20 0.50
PARP1 P09874 1/20 0.47
DPP4 P27487 1/20 0.47
PRMT5 O14744 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OPRD1 P41143 1/20 0.46
HCRTR2 O43614 1/20 0.45
KDM1A O60341 1/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
STS P08842 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL4664791 1.00 KLK7 (0.52) KLK7ABHD6DAGLAPARP1DPP4
SCHEMBL7908488 1.00 KLK7 (0.52) KLK7ABHD6DAGLAPARP1DPP4
SCHEMBL20129716 0.96 DAGLA (0.54) KLK7ABHD6DAGLAPARP1DPP4
SCHEMBL6610814 0.96 DAGLA (0.54) KLK7ABHD6DAGLAPARP1DPP4
SCHEMBL7921496 0.93 KLK7 (0.47) KLK7ABHD6DAGLAPARP1PRMT5
SCHEMBL7921498 0.93 KLK7 (0.47) KLK7ABHD6DAGLAPARP1PRMT5
SCHEMBL30428955 0.90 DAGLA (0.48) KLK7ABHD6DAGLAPARP1PRMT5
SCHEMBL12260685 0.88 KLK7 (0.42) KLK7ABHD6DAGLAPARP1PRMT5
SCHEMBL6610956 0.87 KLK7 (0.50) KLK7ABHD6DAGLAPARP1PRMT5
SCHEMBL8188560 0.87 FKBP1A (0.52) KLK7MEN1KMT2AOPRD1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 WO disclosed
US-11077094-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-08-03 US disclosed
US-20200206189-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-07-02 US disclosed
US-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2018-06-28 US disclosed
CN-105229011-B Spirolactams nmda receptor conditioning agent and application thereof 阿普廷伊克斯股份有限公司 2018-02-06 CN disclosed
US-9828384-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-11-28 US disclosed
US-20170231956-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2017-08-17 US disclosed
US-9579304-B2 Spiro-lactam NMDA receptor modulators and uses thereof Aptinyx, Inc. (US) 2017-02-28 US disclosed
CN-103582482-B Pharmaceutically active disubstituted triazine derivatives 利德探索中心有限公司 2016-10-12 CN disclosed
CN-103582482-A Pharmaceutically active disubstituted triazine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-12 CN disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 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 (4 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-20180179218-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KLK7 2980/4885ABHD6 3516/4885DAGLA 3874/4885
US-20170231956-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KLK7 2980/4885ABHD6 3516/4885DAGLA 3874/4885
US-20200206189-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KLK7 2980/4885ABHD6 3516/4885DAGLA 3874/4885
US-11077094-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A KLK7 2980/4885ABHD6 3516/4885DAGLA 3874/4885

“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.