SCHEMBL1758544

SCHEMBL1758544

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.53
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER1 P34995 4/20 0.44
CXCR3 P49682 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.41
OGA O60502 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8513972 0.91 CCR1 (0.52) CCR1GAAKDM4EALDH1A1CXCR3
SCHEMBL25757907 0.89 CCR1 (0.50) CCR1GAAKDM4EALDH1A1CXCR3
SCHEMBL2579871 0.89 CCR1 (0.52) CCR1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4652967 0.88 PTGER1 (0.42) CCR1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8513975 0.87 CCR1 (0.54) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL1758546 0.87 CCR1 (0.54) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL25757726 0.85 CCR1 (0.51) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL1758419 0.84 GAA (0.49) CCR1GAAKDM4EALDH1A1CXCR3
SCHEMBL27863436 0.84 CCR1 (0.53) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL28799628 0.83 CCR1 (0.50) CCR1GAAKDM4EALDH1A1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN claimed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 CCR1 4297/4885GAA 533/4885KDM4E 1783/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 CCR1 1540/4885GAA 421/4885KDM4E 1416/4885

“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.