SCHEMBL2767694

SCHEMBL2767694

C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.47
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2767692 1.00 LMNA (0.47) LMNAALDH1A1KDM4EPTGDR2RECQL
SCHEMBL2767934 0.87 ALDH1A1 (0.52) LMNAALDH1A1KDM4EPTGDR2SMN1; SMN2
SCHEMBL2767937 0.87 ALDH1A1 (0.52) LMNAALDH1A1KDM4EPTGDR2SMN1; SMN2
SCHEMBL13404767 0.86 ALDH1A1 (0.45) LMNAALDH1A1KDM4EPTGDR2RECQL
SCHEMBL2849484 0.84 MGLL (0.49) LMNAALDH1A1KDM4EPTGDR2SMN1; SMN2
SCHEMBL2849487 0.84 MGLL (0.49) LMNAALDH1A1KDM4EPTGDR2SMN1; SMN2
SCHEMBL2767995 0.84 KDM4E (0.56) LMNAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2765411 0.84 KDM4E (0.56) LMNAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2767197 0.82 PTGDR2 (0.50) ALDH1A1KDM4EPTGDR2SMN1; SMN2MAPT
SCHEMBL2765722 0.80 PTGDR2 (0.48) KDM4EPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 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 (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-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 LMNA 4325/4885ALDH1A1 3721/4885KDM4E 2013/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 LMNA 2536/4885ALDH1A1 839/4885KDM4E 4443/4885

“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.