SCHEMBL1420438

SCHEMBL1420438

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPY2R P49146 4/20 0.54
CSF1R P07333 6/20 0.51
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
MCHR1 Q99705 3/20 0.48
TRPV4 Q9HBA0 1/20 0.48
RAF1 P04049 1/20 0.45
LYN P07948 1/20 0.45
BRAF P15056 1/20 0.45
TACR1 P25103 1/20 0.45
DDR1 Q08345 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL1420193 0.92 NPY2R (0.51) CYP3A4CYP2D6CYP2C19NPY2RCSF1R
SCHEMBL1420128 0.90 RHOC (0.52) NPY2RCSF1RTRPV4DDR1
SCHEMBL1420651 0.89 NPY2R (0.51) NPY2RCSF1RCHRM4CHRM1RAF1
SCHEMBL1420533 0.89 TRPV4 (0.57) NPY2RCSF1RTRPV4RAF1LYN
SCHEMBL1420605 0.88 NPY2R (0.51) NPY2RCSF1RMCHR1RAF1BRAF
SCHEMBL1420444 0.87 CSF1R (0.47) NPY2RCSF1RCHRM4CHRM1MCHR1
SCHEMBL1420252 0.87 CSF1R (0.47) NPY2RCSF1RMCHR1TRPV4RAF1
SCHEMBL1961881 0.87 CSF1R (0.47) NPY2RCSF1RCHRM4CHRM1MCHR1
SCHEMBL1420411 0.87 NPY2R (0.52) NPY2RCSF1RMCHR1RAF1BRAF
SCHEMBL1420819 0.86 NPY2R (0.53) NPY2RCSF1RTRPV4RAF1BRAF

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
JP-2011524365-A 2011-09-01 JP claimed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US claimed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP claimed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO claimed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 CYP3A4 129/4885CYP2D6 207/4885CYP2C19 215/4885

“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.