SCHEMBL2593635

SCHEMBL2593635

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)CCc3ccccc3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
CCR1 P32246 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SPR P35270 1/20 0.35
LMNA P02545 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CXCR3 P49682 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2598613 0.89 GAA (0.42) POLBTSHRGAACCR1KDM4E
SCHEMBL1775261 0.88 POLB (0.46) POLBTSHRGAACCR1KDM4E
SCHEMBL2599385 0.87 GAA (0.46) POLBTSHRGAACCR1KDM4E
SCHEMBL20727027 0.87 POLB (0.44) POLBTSHRGAACCR1KDM4E
SCHEMBL121172 0.86 GAA (0.50) POLBTSHRGAACCR1KDM4E
SCHEMBL2598621 0.86 POLB (0.41) POLBTSHRGAACCR1KDM4E
SCHEMBL2598622 0.86 POLB (0.41) POLBTSHRGAACCR1KDM4E
SCHEMBL1879572 0.85 GAA (0.48) POLBTSHRGAACCR1KDM4E
SCHEMBL2509441 0.85 GAA (0.50) POLBTSHRGAACCR1KDM4E
SCHEMBL14659861 0.84 POLB (0.39) POLBTSHRGAACCR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563786-B1 Ketoheteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH (DE) 2016-11-02 EP disclosed
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
EP-2563786-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES Bayer CropScience AG (DE) 2013-03-06 EP disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
WO-2011134969-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-11-03 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 (2 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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 POLB 4502/4885TSHR 1852/4885GAA 234/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 POLB 4290/4885TSHR 2341/4885GAA 209/4885

“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.