SCHEMBL669931

SCHEMBL669931

CCC(=O)CCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
DNM1 Q05193 6/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
PAOX Q6QHF9 1/20 0.39
KDM4A O75164 10/20 0.38
KDM4C Q9H3R0 10/20 0.38
KDM5A P29375 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL25793793 0.91 ALDH1A1 (0.50) DNM1ALDH1A1TSHRPAOXKDM4A
SCHEMBL18762845 0.87 ALDH1A1 (0.47) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL11464815 0.84
SCHEMBL9670739 0.84 ALDH1A1 (0.45) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL28430391 0.79 DNM1 (0.59) TDP1DNM1ALDH1A1TSHR
SCHEMBL29125639 0.79 DNM1 (0.59) TDP1DNM1ALDH1A1TSHR
SCHEMBL28483282 0.79 DNM1 (0.59) TDP1DNM1ALDH1A1TSHR
SCHEMBL22462118 0.79 DNM1 (0.59) TDP1DNM1ALDH1A1TSHR
SCHEMBL18762844 0.79 ALDH1A1 (0.53) DNM1ALDH1A1TSHRPAOXKDM4A
SCHEMBL21391387 0.78 PAOX (0.44) TDP1ALDH1A1PAOXKDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP claimed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO claimed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 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 (5 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-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY PSMG3, HSPA5, TTR TDP1 1328/4885DNM1 1347/4885ALDH1A1 4128/4885
US-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity SERPINB1, ELANE, MPO TDP1 883/4885DNM1 4409/4885ALDH1A1 109/4885
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 TDP1 1091/4885DNM1 2575/4885ALDH1A1 353/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM TDP1 1802/4885DNM1 1409/4885ALDH1A1 1404/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 TDP1 1010/4885DNM1 4341/4885ALDH1A1 442/4885

“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.