SCHEMBL2427205

SCHEMBL2427205

C[C@H](N)c1ccc(O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.56
ESR1 P03372 6/20 0.44
ADRB1 P08588 1/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
TYR P14679 1/20 0.39
ESR2 Q92731 5/20 0.38
NEK1 Q96PY6 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL2427206 1.00 PDE2A (0.56) PDE2AESR1ADRB1MIFHTR2A
SCHEMBL12263468 0.83 LMNA (0.43) PDE2AESR1ADRA1AHTR2BADRA2A
Ammonia Solution, Strong SCHEMBL7990638 0.81 TYR (0.44) PDE2AESR1ADRA2AADRA2BADRA2C
SCHEMBL27798663 0.79 ADRA2A (0.40) PDE2AESR1MIFADRA2AADRA2B
Bromide SCHEMBL9765246 0.79 ADRA2A (0.43) ESR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL29673215 0.78 PDE2A (0.60) PDE2AHTR2ALMNATP53HTT
SCHEMBL29668983 0.78 PDE2A (0.60) PDE2AHTR2ALMNATP53HTT
SCHEMBL22503911 0.78 TYR (0.55) ESR1ADRB1MIFHTR2AADRA1A
SCHEMBL29673197 0.78 PDE2A (0.60) PDE2AHTR2ALMNATP53HTT
SCHEMBL1761854 0.78 PDE2A (0.60) PDE2AHTR2ALMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 PDE2A 255/4885ESR1 360/4885ADRB1 5/4885

“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.