SCHEMBL5413682

SCHEMBL5413682

CC(C)(C)OC(=O)N1CCCC(=O)CC1c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CHRNA7 P36544 3/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA2 Q15822 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
PSIP1 O75475 1/20 0.44
TRPA1 O75762 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL24114777 0.87 ALDH1A1 (0.56) LMNAGPR119GAAKMT2AL3MBTL1
SCHEMBL30148091 0.87 ALDH1A1 (0.56) LMNAGPR119GAAKMT2AL3MBTL1
SCHEMBL23992271 0.87 ALDH1A1 (0.56) LMNAGPR119GAAKMT2AL3MBTL1
SCHEMBL30487081 0.86 LMNA (0.59) LMNAGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL20164005 0.86 LMNA (0.59) LMNAGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL8575615 0.86 LMNA (0.59) LMNAGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL30675171 0.83 GPR119 (0.53) LMNAGPR119GAAKMT2AL3MBTL1
SCHEMBL27703992 0.83 GPR119 (0.53) LMNAGPR119GAAKMT2AL3MBTL1
SCHEMBL28371859 0.79 GPR119 (0.46) LMNAGPR119ALDH1A1CHRNA7CHRNB2
SCHEMBL30675206 0.79 GPR119 (0.46) LMNAGPR119KMT2AALDH1A1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161614-A1 Pyridylether derivatives, their preparation and use PETERS DAN 2007-07-12 US disclosed
US-7202237-B2 Pyridylether derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-04-10 US disclosed
US-20040242558-A1 Pyridylether derivatives, their preparation and use NEUROSEARCH A/S 2004-12-02 US disclosed
US-6756386-B1 SUCH AS 1-METHYL-3-OXY-(5-CHLORO-3-PYRIDYL)-PIPERIDINE; CHOLINERGIC SYSTEM OF CENTRAL NERVOUS SYSTEM; PAIN, INFLAMMATION NEUROSEARCH A/S (DK) 2004-06-29 US disclosed
EP-1357121-A1 Azaring-ether deritatives and their use as nicotinic ach receptor modulators NEUROSEARCH A/S (DK) 2003-10-29 EP disclosed
EP-1034174-B1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2003-08-13 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-20070161614-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 LMNA 1688/4885GPR119 356/4885GAA 4031/4885
US-20040242558-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 LMNA 1688/4885GPR119 356/4885GAA 4031/4885

“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.