SCHEMBL2828186

SCHEMBL2828186

CC(C)(C#N)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
LTA4H P09960 2/20 0.36
TSHR P16473 2/20 0.36
KCNA3 P22001 1/20 0.36
MAPK1 P28482 1/20 0.34
PPARG P37231 3/20 0.34
RIPK1 Q13546 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL15650038 0.78 ALDH1A1 (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2830535 0.78 PPARA (0.48) TSHRMAPK1PPARGLMNAALDH1A1
SCHEMBL22347377 0.78 ALDH1A1 (0.41) MAPK1PPARGLMNAALDH1A1DRD2
SCHEMBL18405594 0.77 CA4 (0.39) CA4LTA4HTSHRKCNA3MAPK1
SCHEMBL3365142 0.77 CA4 (0.39) CA4LTA4HTSHRMAPK1PPARG
SCHEMBL826787 0.77 KMT2A (0.54)
SCHEMBL31285836 0.76 LTA4H (0.39) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL5722454 0.74 CA4 (0.41) CA4LTA4HTSHRLMNAALDH1A1
SCHEMBL11641137 0.74 PPARA (0.44) LTA4HTSHRMAPK1PPARGLMNA
SCHEMBL3717182 0.73 CA4 (0.43) CA4LTA4HTSHRKCNA3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022125862-A1 PROCESSES FOR THE PREPARATION OF ZANUBRUTINIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2022-06-16 WO disclosed
CN-103772239-B amide and amidine derivatives and uses thereof ABBVIE 公司 2017-04-12 CN disclosed
CN-102459158-B Novel amide and amidine derivatives and use thereof ABBVIE (US) 2015-11-25 CN disclosed
CN-103772239-A Novel amide and amidine derivatives and uses thereof ABBVIE INC 2014-05-07 CN disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
CN-102459158-A Novel amide and amidine derivatives and use thereof ABBOTT LAB 2012-05-16 CN disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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 CA4 4459/4885LTA4H 820/4885TSHR 1055/4885

“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.