SCHEMBL512129

SCHEMBL512129

CCOC(=O)C(CN)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
GAA P10253 1/20 0.51
PIN1 Q13526 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL8912908 1.00 MMP8 (0.53) MMP8GAAPIN1MEN1NPC1
Hydrochloric Acid SCHEMBL3449917 0.98 PIN1 (0.51) MMP8GAAPIN1MEN1NPC1
SCHEMBL28470487 0.86 MMP8 (0.50) MMP8GAAPIN1MEN1NPC1
SCHEMBL5200954 0.86 LMNA (0.50) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
Hydrazine SCHEMBL27358872 0.86 GAA (0.59) MMP8GAAMEN1KMT2AKDM4E
SCHEMBL23027214 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL260296 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL5972492 0.85 MMP8 (0.56) MMP8GAAPIN1MEN1NPC1
SCHEMBL805646 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL11641330 0.84 ESR1 (0.49) GAAKMT2ASMN1; SMN2CYP1A2CYP2D6

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-6150335-A TREATMENT FOR PAIN ASTRA AB (SE) 2000-11-21 US disclosed
US-5399570-A Aspartic acid derivatives, and their use for inhibiting platelete aggregation CASSELLA AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
US-5219886-A Cardiovascular disorders, analgesics, enzyme inhibitors SCHERING CORPORATION (US) 1993-06-15 US disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 EP disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
EP-0393441-A1 Mercapto-acylamino acids SCHERING CORPORATION (US) 1990-10-24 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 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 (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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 MMP8 900/4885GAA 1556/4885PIN1 2797/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 MMP8 4696/4885GAA 4545/4885PIN1 1484/4885
US-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 MMP8 133/4885GAA 1302/4885PIN1 2450/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 MMP8 133/4885GAA 1302/4885PIN1 2450/4885

“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.