SCHEMBL2659627

SCHEMBL2659627

CCON(Cc1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41
IDO1 P14902 3/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2655817 0.75 PYCR1 (0.54) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL17914546 0.73 PYCR1 (0.45) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6750275 0.72 IDO1 (0.53) PYCR1SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL2662012 0.71 SLC6A2 (0.47) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL24345065 0.71 PYCR1 (0.53) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL16553471 0.70 PYCR1 (0.61) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2657018 0.70 SLC6A2 (0.52) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL26677103 0.69 PYCR1 (0.65) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL26675992 0.69 PYCR1 (0.51) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2655848 0.69 PYCR1 (0.59) PYCR1SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 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-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR PYCR1 100/4885SLC6A2 771/4885SLC6A4 870/4885

“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.