SCHEMBL1598076

SCHEMBL1598076

CN(CCO)C(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
POLB P06746 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 3/20 0.39
RIPK1 Q13546 1/20 0.39
CXCR3 P49682 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL12640147 0.86 CES2 (0.41) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL12824157 0.84 SIGMAR1 (0.46) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL1300316 0.84 CNR2 (0.42) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL16438490 0.84 RIPK1 (0.42) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL15431417 0.82 POLB (0.39) PDE7APOLBKDM4ERIPK1MTNR1A
SCHEMBL25973151 0.82 RIPK1 (0.41) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL23486765 0.81 GABRP (0.42) PDE7APOLBKDM4ERIPK1ITGB3
SCHEMBL20327074 0.81 POLB (0.38) PDE7APOLBKDM4ERIPK1MTNR1A
SCHEMBL20869273 0.79 TDP1 (0.38) CES2CES1KDM4ERIPK1CXCR3
SCHEMBL24583660 0.79 POLB (0.45) PDE7APOLBKDM4EALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018115380-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-28 WO disclosed
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
EP-1833805-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP ZOO (PL) 2010-02-10 EP disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 US disclosed
EP-1874745-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS ADAMED SP ZOO (PL) 2009-11-11 EP disclosed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 US disclosed
EP-1833805-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES Adamed SP. Z O.O. (PL) 2007-09-19 EP disclosed
US-20070161799-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z O.O. (PL) 2007-07-12 US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 WO disclosed
WO-2006077217-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2006-07-27 WO disclosed
US-20060160870-A1 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 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 (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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG PDE7A 1585/4885POLB 2652/4885CES2 1286/4885
US-20070161799-A1 3-Phenylpropionic acid derivatives PAOX, PPARA, PPARG PDE7A 2347/4885POLB 2070/4885CES2 854/4885
US-20060160870-A1 3-phenylpropionic acid derivatives PPARA, PPARG, PPARD PDE7A 1454/4885POLB 2438/4885CES2 945/4885
US-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD PDE7A 2131/4885POLB 2754/4885CES2 1134/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG PDE7A 1580/4885POLB 2626/4885CES2 1198/4885

“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.