SCHEMBL2647677

SCHEMBL2647677

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.41
CTSK P43235 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
EPHX1 P07099 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2651907 0.84 MMP2 (0.39) ESR1ESR2SLC6A3
SCHEMBL2645029 0.83 TSHR (0.41) TSHRCTSKNPC1RAB9AEPHX1
SCHEMBL2651572 0.83 GCK (0.38) ESR1ESR2SLC6A3
SCHEMBL2650114 0.83 CYP2D6 (0.42) ESR1ESR2SLC6A3
SCHEMBL2648101 0.82 SLC6A3 (0.52) ESR1ESR2SLC6A3
SCHEMBL2645826 0.82 L3MBTL1 (0.56) NPC1RAB9AESR1ESR2SLC6A2
SCHEMBL2645875 0.82 POLB (0.46) NPC1RAB9AESR1ESR2KMT2A
SCHEMBL1418963 0.82 SLC6A3 (0.50) TSHRKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2646358 0.81 MEN1 (0.45) NPC1ESR1ESR2EPHX1KMT2A
SCHEMBL2650869 0.81 ACACB (0.38) CTSKESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (4 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TSHR 3216/4885HTT 1532/4885CTSK 259/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TSHR 3092/4885HTT 1400/4885CTSK 214/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TSHR 3216/4885HTT 1532/4885CTSK 259/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TSHR 3216/4885HTT 1532/4885CTSK 259/4885

“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.