SCHEMBL2980955

SCHEMBL2980955

C=CCO[C@H](C)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL20311441 0.80 CYP3A4 (0.58) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL7710807 0.76 CYP3A4 (0.53) ALDH1A1SMN1; SMN2CYP3A4CYP2C19GAA
SCHEMBL13359381 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL17901790 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL23718824 0.73 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL17901794 0.73 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL13324904 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL1037732 0.73 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL18292237 0.72 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL4736875 0.72 CYP3A4 (0.43) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19

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
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 ALDH1A1 631/4885SMN1; SMN2 4117/4885HPGD 3801/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 ALDH1A1 699/4885SMN1; SMN2 4286/4885HPGD 3895/4885

“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.