SCHEMBL2651252

SCHEMBL2651252

COC(=O)C(CC1CCCC1)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
GRM5 P41594 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGES O14684 1/20 0.40
AKR1C3 P42330 1/20 0.40
ACACB O00763 1/20 0.39
GCK P35557 2/20 0.39

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
SCHEMBL2652805 0.87 FFAR1 (0.49) FFAR1GRM5MMP2MMP9MMP12
SCHEMBL2651572 0.82 GCK (0.38) MMP2MMP9MMP12ACACBGCK
SCHEMBL2651185 0.81 ACACB (0.43) MMP2MMP9MMP12ACACB
SCHEMBL2651387 0.80 GCK (0.62) CYP1A2GCK
SCHEMBL9147801 0.79 ALOX5 (0.52)
SCHEMBL2651907 0.79 MMP2 (0.39) MMP2MMP9MMP12ACACBGCK
SCHEMBL2650114 0.78 CYP2D6 (0.42) MMP2MMP9MMP12ACACBGCK
SCHEMBL1418963 0.78 SLC6A3 (0.50)
SCHEMBL2647677 0.77 TSHR (0.46)
SCHEMBL2653693 0.76 ALDH1A1 (0.40) MMP2MMP9MMP12ACACBGCK

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
EP-1282612-B1 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1282612-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6388071-B2 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
US-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. 2001-12-20 US disclosed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators GCK, GCKR, HK2 FFAR1 1347/4885GRM5 3619/4885MMP2 947/4885

“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.