SCHEMBL2642822

SCHEMBL2642822

CCC(CC)C(=O)Nc1sc(N2CCN(Cc3ccccc3)CC2)c(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.47
HPGD P15428 4/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
USP2 O75604 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL2643300 0.88 HPGD (0.47) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643333 0.84 GCGR (0.60) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2647695 0.83 HPGD (0.47) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643133 0.82 GCGR (0.43) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643611 0.76 GCGR (0.44) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2645160 0.73 ALDH1A1 (0.58) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643974 0.73 ALDH1A1 (0.60) GCGRHPGDKMT2AMEN1CRHBP
SCHEMBL2643268 0.72 GCGR (0.54) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643251 0.71 ALDH1A1 (0.45) GCGRHPGDKMT2AMEN1ALDH1A1
SCHEMBL2643008 0.71 GCGR (0.55) GCGRHPGDKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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 (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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885HPGD 1674/4885KMT2A 4433/4885

“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.