SCHEMBL14904406

SCHEMBL14904406

CC(=O)N1CCCC(C(C)(C)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
HTR2A P28223 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 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
SCHEMBL13781666 0.87 EPHX2 (0.46) EPHX2SMN1; SMN2ALDH1A1MAPK1HTR2A
SCHEMBL9917273 0.87 EPHX2 (0.46) EPHX2SMN1; SMN2ALDH1A1MAPK1HTR2A
SCHEMBL13781667 0.87 EPHX2 (0.46) EPHX2SMN1; SMN2ALDH1A1MAPK1HTR2A
SCHEMBL23089076 0.85 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPK1LMNACA1
SCHEMBL4550271 0.81 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL18711611 0.81 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL18711609 0.81 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL17715396 0.81 MEN1 (0.43) EPHX2ALDH1A1MAPK1LMNAMAPT
SCHEMBL18737441 0.81 ALDH1A1 (0.37) EPHX2SMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL14970354 0.80 CHRNB2 (0.46) EPHX2SMN1; SMN2KDM4ECHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771000-B1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2016-05-04 EP disclosed
US-9018200-B2 Substituted piperidinyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140296202-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
WO-2013062838-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (1 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-20140296202-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GPR139 EPHX2 2484/4885SMN1; SMN2 3191/4885ALDH1A1 1340/4885

“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.