SCHEMBL870890

SCHEMBL870890

CN(C)CCCNc1ncc(F)cc1C(=O)NC1CCC(N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDR P35968 1/20 0.36
PDE4B Q07343 4/20 0.35
TYRO3 Q06418 2/20 0.34
MERTK Q12866 2/20 0.34
MAPK14 Q16539 1/20 0.34
FLT3 P36888 1/20 0.34
GAS6 Q14393 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PDPK1 O15530 1/20 0.34
HPGD P15428 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
AXL P30530 1/20 0.33

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
SCHEMBL870889 1.00 CRHR1 (0.36) CRHR1CYP3A4CYP2C9KDRPDE4B
SCHEMBL3027294 0.87 CRHR1 (0.41) CRHR1CYP3A4CYP2C9KDRPDE4B
SCHEMBL3027298 0.87 CRHR1 (0.41) CRHR1CYP3A4CYP2C9KDRPDE4B
SCHEMBL10271577 0.84 MERTK (0.43) CRHR1CYP3A4CYP2C9KDRPDE4B
SCHEMBL871647 0.79 TYRO3 (0.47) TYRO3MERTKFLT3GAS6IRAK4
SCHEMBL871646 0.79 TYRO3 (0.47) TYRO3MERTKFLT3GAS6IRAK4
SCHEMBL4105480 0.79 HPGD (0.36) CRHR1PDE4BTYRO3PDE4APDE4D
SCHEMBL4105477 0.79 HPGD (0.36) CRHR1PDE4BTYRO3PDE4APDE4D
SCHEMBL870600 0.77 PDE4D (0.37) CRHR1PDE4BTYRO3PDE4APDE4D
SCHEMBL871040 0.77 EGFR (0.39) CRHR1PDE4BPDE4APDE4DHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CRHR1 2395/4885CYP3A4 116/4885CYP2C9 835/4885

“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.