SCHEMBL427897

SCHEMBL427897

Cc1ccc(C(F)(F)C(F)(F)F)c(CC2CCN(C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ADRB2 P07550 1/20 0.36
ACHE P22303 2/20 0.35
DDR1 Q08345 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 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
SCHEMBL12426560 0.81 DDR1 (0.46) NOS3NOS1NOS2ADRB2ACHE
SCHEMBL426849 0.78 EGFR (0.45) DDR1SLC6A4EGFRFGFR1FLT1
SCHEMBL426815 0.78 NR1H2 (0.50)
SCHEMBL426809 0.70 ADRB2 (0.49) ADRB2HTR1AHRH4
SCHEMBL18404544 0.69 RBP4 (0.40) NOS3NOS1NOS2ACHEDDR1
SCHEMBL429246 0.69 LMNA (0.46) ADRB2SLC6A4
SCHEMBL426887 0.69 HSD17B10 (0.48)
SCHEMBL272847 0.69 NR1H2 (0.63) NOS3NOS1NOS2ACHEDDR1
SCHEMBL8302417 0.68 OPRM1 (0.51) ACHE
SCHEMBL3557511 0.68 DDR1 (0.56) NOS3NOS1NOS2DDR1

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
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOS3 108/4885NOS1 216/4885NOS2 97/4885

“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.