SCHEMBL687030

SCHEMBL687030

CCNC(=O)C1CCC(CC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.44
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
NAAA Q02083 1/20 0.41
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.36

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
SCHEMBL15200265 1.00 OPRM1 (0.48) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15580639 1.00 OPRM1 (0.48) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22276366 0.91 EPHX1 (0.58) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1678458 0.89
Hydrochloric Acid SCHEMBL28988641 0.87
SCHEMBL23221254 0.84 OPRM1 (0.43) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6884666 0.84 PLG (0.53) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21728758 0.84 OPRM1 (0.43) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18179835 0.84 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL22697173 0.82 OPRM1 (0.42) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2022115477-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2022-06-02 WO disclosed
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 WO disclosed
WO-2021156792-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2021-08-12 WO disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
WO-2020236825-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed
WO-2020236817-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed
US-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2014-11-13 US disclosed
US-8178704-B2 For analyzing seven transmembrane domain receptors coupled to phospholipase C and receptors having tyrosine kinase activity; kits; monoclonal/polyclonal antibodies CIS BIO INTERNATIONAL (FR) 2012-05-15 US disclosed
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER KOWA COMPANY, LTD. (JP) 2011-11-24 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20100204467-A1 LANTHANIDE (III) ION COMPLEXING COMPOUNDS, LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS CIS BIO INTERNATIONAL (FR) 2010-08-12 US disclosed
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF CIS BIO INTERNATIONAL (FR) 2010-06-10 US disclosed
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF CIS BIO INTERNATIONAL (FR) 2010-06-10 US disclosed
US-20080261237-A1 Inositol-Phosphate Derivatives and Method of Detecting Inositol-1-Phosphate CIS BIO INTERNATIONAL (FR) 2008-10-23 US disclosed
US-20080261237-A1 Inositol-Phosphate Derivatives and Method of Detecting Inositol-1-Phosphate CIS BIO INTERNATIONAL (FR) 2008-10-23 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 (6 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG OPRM1 1571/4885CYP1A2 631/4885CYP2D6 190/4885
US-20080261237-A1 Inositol-Phosphate Derivatives and Method of Detecting Inositol-1-Phosphate IPMK, PLCG1, IP6K1 OPRM1 850/4885CYP1A2 4447/4885CYP2D6 3919/4885
US-20100204467-A1 LANTHANIDE (III) ION COMPLEXING COMPOUNDS, LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS CBR3, CLIC4, GLRA3 OPRM1 429/4885CYP1A2 2359/4885CYP2D6 1894/4885
US-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES RCC1, RCC2, C1R OPRM1 4036/4885CYP1A2 2202/4885CYP2D6 3230/4885
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER ACSL6, ACSL3, ACSL1 OPRM1 1242/4885CYP1A2 330/4885CYP2D6 64/4885
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF C9, CBR3, C3AR1 OPRM1 418/4885CYP1A2 1768/4885CYP2D6 1073/4885

“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.