SCHEMBL3714016

SCHEMBL3714016

CC(C)COC(=O)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PRCP P42785 1/20 0.39
TLR2 O60603 2/20 0.39
DPP7 Q9UHL4 2/20 0.38
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
FAP Q12884 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10363588 1.00 RAB9A (0.39) RAB9APRCPTLR2DPP7DPP4
SCHEMBL5539757 0.95 RAB9A (0.38) RAB9APRCPTLR2TSHRCYP1A2
SCHEMBL8840314 0.89 PRCP (0.39) PRCPTLR2DPP7DPP4DPP8
SCHEMBL17732291 0.88 PRCP (0.38) PRCPTLR2DPP7DPP4DPP8
SCHEMBL1263537 0.86 TLR2 (0.35) PRCPTLR2DPP7DPP4DPP8
SCHEMBL11253690 0.84 TLR2 (0.36) PRCPTLR2DPP7DPP4DPP8
SCHEMBL13728121 0.83 ADRB2 (0.36) PRCPTLR2TSHRCYP3A4CYP2D6
SCHEMBL29520055 0.83 GLI1 (0.47) RAB9ATSHR
SCHEMBL24587253 0.81 TLR2 (0.40) PRCPTLR2DPP7DPP4DPP8
SCHEMBL27114716 0.81 TLR2 (0.40) PRCPTLR2DPP7DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053017-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-20 EP claimed
CN-117412959-A Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof 爱彼特生物制药公司 2024-01-16 CN disclosed
EP-2928503-B1 CONJUGATES OF AURISTATIN COMPOUNDS MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
US-8614205-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-12-24 US disclosed
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-06-13 US disclosed
US-8258118-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-04 US disclosed
US-8211882-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY (US) 2012-07-03 US disclosed
US-20120114643-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-8124768-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-8124768-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
WO-2010101648-A1 GLUTAMATE RECEPTOR MODULATORS AND THERAPEUTIC AGENTS WOOD RICHARD D (US) 2010-09-10 WO disclosed
US-20090239919-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY 2009-09-24 US disclosed
EP-0241094-B1 PROCESS FOR THE SEPARATION OF L-LEUCINE AND L-ISOLEUCINE PFW (NEDERLAND) B.V. (NL) 1990-07-25 EP disclosed
EP-0241094-A1 Process for the separation of L-leucine and L-isoleucine PFW (NEDERLAND) B.V. (NL) 1987-10-14 EP disclosed
EP-0053017-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-20 EP 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-20090239919-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 RAB9A 2312/4885PRCP 3922/4885TLR2 314/4885
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD RAB9A 1324/4885PRCP 2376/4885TLR2 4315/4885
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 RAB9A 2147/4885PRCP 3421/4885TLR2 336/4885
US-20120114643-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD RAB9A 1324/4885PRCP 2376/4885TLR2 4315/4885

“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.