SCHEMBL3270416

SCHEMBL3270416

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C3(C#N)CCOCC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.62
HRH3 Q9Y5N1 2/20 0.47
ALK Q9UM73 1/20 0.44
CHEK2 O96017 1/20 0.43
RECQL P46063 1/20 0.43
KDM1A O60341 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 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
SCHEMBL3278761 0.85 HRH3 (0.48) GPR119HRH3MCHR1
SCHEMBL3271516 0.79 EPHX2 (0.51) HRH3
SCHEMBL23410150 0.79 GPR119 (0.61) GPR119RECQLUSP2SMN1; SMN2LMNA
SCHEMBL225375 0.78 GPR119 (0.91) GPR119HRH3ALK
SCHEMBL6263373 0.78 HRH3 (0.42) GPR119HRH3LMNA
SCHEMBL3272124 0.78 HRH3 (0.60) HRH3
SCHEMBL3272977 0.78 HRH3 (0.63) HRH3
SCHEMBL1103996 0.77 ALDH1A1 (0.51) GPR119SMN1; SMN2CTSDCTSEBACE1
SCHEMBL2573355 0.77 GPR119 (1.00) GPR119HRH3ALK
SCHEMBL2573353 0.77 GPR119 (1.00) GPR119HRH3ALK

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-1747210-B1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER LAMBERT CO (US) 2010-06-30 EP disclosed
US-7456164-B2 Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable PFIZER, INC (US) 2008-11-25 US disclosed
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US disclosed
EP-1593679-A1 3- Or 4-monosubstituted phenol derivatives useful as H3 ligands Warner-Lambert Company LLC (US) 2005-11-09 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 (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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 GPR119 2214/4885HRH3 2/4885ALK 1113/4885

“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.