SCHEMBL2824430

SCHEMBL2824430

CC(C)(Oc1ccc(Cl)cc1)C(=NC#N)NC1CN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HTR3A P46098 4/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CHRNA7 P36544 1/20 0.46
HSD11B1 P28845 7/20 0.44
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B2 P80365 3/20 0.39
MAPK1 P28482 1/20 0.38
LSS P48449 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR5A P47898 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2827916 0.84 HSD11B1 (0.40) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL2827919 0.84 HSD11B1 (0.40) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL2824905 0.80 HSD11B1 (0.45) ALDH1A1HSD11B1HSD11B2MAPK1
SCHEMBL2824910 0.80 HSD11B1 (0.45) ALDH1A1HSD11B1HSD11B2MAPK1
SCHEMBL2824345 0.79 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2824341 0.79 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2822162 0.78 HSD11B1 (0.60) ALDH1A1ALOX15HSD11B1GAASMN1; SMN2
SCHEMBL2822159 0.78 HSD11B1 (0.60) ALDH1A1ALOX15HSD11B1GAASMN1; SMN2
SCHEMBL2824433 0.77 HSD11B1 (0.40) ALDH1A1HTR3AHTR3EHTR3BHTR3D
SCHEMBL2834255 0.77 HSD11B1 (0.48) HSD11B1HSD11B2

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 ALDH1A1 935/4885HTR3A 1260/4885HTR3E 1482/4885

“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.