SCHEMBL1758419

SCHEMBL1758419

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(=O)OC3CCCCC3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CCR1 P32246 1/20 0.48
HRH3 Q9Y5N1 4/20 0.42
SCD O00767 1/20 0.39
CXCR3 P49682 3/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1120281 0.87 GAA (0.49) GAACCR1KDM4EPOLBTP53
SCHEMBL2579871 0.86 CCR1 (0.52) GAACCR1CXCR3KDM4EPOLB
SCHEMBL1758544 0.84 CCR1 (0.53) GAACCR1CXCR3KDM4EPOLB
SCHEMBL8513972 0.83 CCR1 (0.52) GAACCR1HRH3SCDCXCR3
SCHEMBL25757907 0.81 CCR1 (0.50) GAACCR1CXCR3KDM4EPOLB
SCHEMBL8513975 0.80 CCR1 (0.54) GAACCR1CXCR3KDM4EPOLB
SCHEMBL1758546 0.79 CCR1 (0.54) GAACCR1CXCR3KDM4EPOLB
SCHEMBL27863436 0.78 CCR1 (0.53) GAACCR1CXCR3KDM4EPOLB
SCHEMBL27879754 0.78 CCR1 (0.52) GAACCR1CXCR3KDM4EPOLB
SCHEMBL1873516 0.78 GAA (0.37) GAACCR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
CN-102712634-A Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG 2012-10-03 CN disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 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 (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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 GAA 533/4885CCR1 4297/4885HRH3 1758/4885

“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.