SCHEMBL2404059

SCHEMBL2404059

CC(=O)N1CCNCC1(c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
OPRD1 P41143 2/20 0.34
PDK2 Q15119 2/20 0.34
TACR1 P25103 2/20 0.33
OPRM1 P35372 3/20 0.33
OGFRL1 Q5TC84 1/20 0.33
POLB P06746 1/20 0.33
SLC6A9 P48067 1/20 0.32
NR1I2 O75469 1/20 0.32
RORC P51449 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL29761590 0.89 SIGMAR1 (0.36) SIGMAR1KMT2AHTR2AOPRD1PDK2
SCHEMBL5790959 0.86 SIGMAR1 (0.35) SIGMAR1HTR2AOPRD1PDK2TACR1
SCHEMBL8109695 0.79 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL28915947 0.78 SIGMAR1 (0.36) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL14833467 0.77 SIGMAR1 (0.38) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL30151394 0.73 NR1H2 (0.40) OPRD1TACR1RORCOPRK1
SCHEMBL4430753 0.72 HTR2A (0.36) SIGMAR1HTR2APDK2OPRM1RORC
SCHEMBL27373175 0.70 SIGMAR1 (0.37) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL18284816 0.70 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL8499176 0.69 SIGMAR1 (0.36) SIGMAR1KMT2AHTR2AOPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR SIGMAR1 4761/4885KMT2A 682/4885HTR2A 2212/4885

“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.