SCHEMBL6656901

SCHEMBL6656901

CCC(=O)CN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN3A Q9NY46 1/20 0.35
FFAR3 O14843 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 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
SCHEMBL15813327 0.97 TDP1 (0.47) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL13755285 0.94 TDP1 (0.50) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL31602039 0.88 TDP1 (0.39) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL13025468 0.85 TDP1 (0.46) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL8391012 0.81 TDP1 (0.67) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL14228148 0.81 TDP1 (0.38) TDP1
SCHEMBL1427782 0.78 GABRR1 (0.35) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL11554828 0.78 CES2 (0.41) ALDH1A1MAPTKDM4EAGTR1LMNA
SCHEMBL14331808 0.76 LDHA (0.38) TDP1ALDH1A1MAPTKDM4EAGTR1
SCHEMBL12301958 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006140-B1 Process for the preparation of siloxane-oxyalkylene copolymers GEN ELECTRIC (US) 2004-07-14 EP claimed
US-6372874-B1 SOLVENT-FREE HYDROSILATION OF UNSATURATED POLYETHERS WITH ORGANOHYDROGENSILOXANES IN THE PRESENCE OF HYDROXYL, CARBONYL, OR ETHER-FUNCTIONAL AMINES AS BUFFERS FOR THE METAL HYDROSILATION CATALYSTS; BY-PRODUCT INHIBITION; KINETICS CROMPTON CORPORATION 2002-04-16 US claimed
EP-1006140-A2 Process for the preparation of siloxane-oxyalkylene copolymers CK WITCO CORPORATION (US) 2000-06-07 EP claimed
CN-117899939-A Preparation method of titanium catalyst and application of titanium catalyst in organic silicon sealant 浙江中天东方氟硅材料股份有限公司 2024-04-19 CN disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Cellix Bio Provate Limited (IN) 2021-03-18 US disclosed
US-10858349-B2 Compositions and methods for the treatment of cancer CELLIX BIO PRIVATE LIMITED (IN) 2020-12-08 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 US disclosed
US-9669015-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-06-06 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
EP-1006140-B1 Process for the preparation of siloxane-oxyalkylene copolymers GEN ELECTRIC (US) 2004-07-14 EP disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-6372874-B1 SOLVENT-FREE HYDROSILATION OF UNSATURATED POLYETHERS WITH ORGANOHYDROGENSILOXANES IN THE PRESENCE OF HYDROXYL, CARBONYL, OR ETHER-FUNCTIONAL AMINES AS BUFFERS FOR THE METAL HYDROSILATION CATALYSTS; BY-PRODUCT INHIBITION; KINETICS CROMPTON CORPORATION 2002-04-16 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
EP-1006140-A2 Process for the preparation of siloxane-oxyalkylene copolymers CK WITCO CORPORATION (US) 2000-06-07 EP disclosed
EP-0329268-A2 Glass ionomer dental cement curable in two stages Kerr Manufacturing Company (a Delaware corporation) (US) 1989-08-23 EP disclosed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 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 (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-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 TDP1 4206/4885ALDH1A1 2768/4885MAPT 2211/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 TDP1 4014/4885ALDH1A1 2356/4885MAPT 2337/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 TDP1 4206/4885ALDH1A1 2768/4885MAPT 2211/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 TDP1 2577/4885ALDH1A1 2100/4885MAPT 4850/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 TDP1 4206/4885ALDH1A1 2768/4885MAPT 2211/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 TDP1 4213/4885ALDH1A1 1353/4885MAPT 3023/4885

“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.