SCHEMBL670027

SCHEMBL670027

CC(=O)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.68
LTB4R Q15722 1/20 0.63
LTB4R2 Q9NPC1 1/20 0.63
NR4A2 P43354 1/20 0.62
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
FFAR1 O14842 1/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SMPD1 P17405 1/20 0.56
BCHE P06276 2/20 0.55
NAAA Q02083 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
SRD5A2 P31213 1/20 0.55
MAOA P21397 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL13599952 0.89 MEN1 (0.63) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL9079802 0.87 MRGPRX4 (0.56) MAOBLTB4RLTB4R2FFAR1
SCHEMBL954459 0.87 NR4A2 (0.66) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL9379190 0.87 CYP4F2 (0.63) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL3660617 0.84 FFAR1 (0.66) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL2848161 0.84 MAOB (0.60) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL13599950 0.84 MAOB (0.55) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL8986815 0.84 LMNA (0.61) MAOBLTB4RLTB4R2FFAR1
SCHEMBL2790268 0.84 NR4A2 (0.62) MAOBLTB4RLTB4R2NR4A2CYP4F2
SCHEMBL13347806 0.84 CYP4F2 (0.59) MAOBLTB4RLTB4R2NR4A2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947342-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF Council of Scientific and Industrial Research (IN) 2022-02-09 EP disclosed
WO-2020194326-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-01 WO disclosed
EP-3063125-A1 NOVEL INTERMEDIATE OF TAPENTADOL Sun Pharma Advanced Research Company (IN) 2016-09-07 EP disclosed
WO-2015075744-A1 NOVEL INTERMEDIATE OF TAPENTADOL SUN PHARMA ADVANCED RESEARCH COMPANY (IN) 2015-05-28 WO disclosed
WO-2015075678-A1 A NOVEL PROCESS FOR THE PREPARATION OF 1-PHENYL-3-AMINOPROPANE DERIVATIVES UNIMARK REMEDIES LTD. (IN) 2015-05-28 WO disclosed
WO-2014061821-A1 GRB10 INTERACTING GYF PROTEIN 2 MODULATOR TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2014-04-24 WO disclosed
WO-2013105109-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-07-18 WO disclosed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP disclosed
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 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 (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-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP MAOB 1187/4885LTB4R 1948/4885LTB4R2 2229/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP MAOB 1278/4885LTB4R 1925/4885LTB4R2 2186/4885

“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.