SCHEMBL14130989

SCHEMBL14130989

CC(C)CCc1ccccc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
AOC3 Q16853 1/20 0.40
NISCH Q9Y2I1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8957418 0.84 HRH1 (0.44) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL31147801 0.82 TAAR1 (0.60) KCNH2TAAR1AOC3ALDH1A1HPGD
SCHEMBL7636733 0.82 TAAR1 (0.60) KCNH2TAAR1AOC3ALDH1A1HPGD
SCHEMBL12844604 0.82 ADRA2A (0.54) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL12634450 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2CHTR1ATAAR1
SCHEMBL8053597 0.81 IRAK4 (0.44) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL11099859 0.81 SLC6A2 (0.41) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL3842137 0.81 TAAR1 (0.63) SLC6A2SLC6A4KCNH2IRAK4TAAR1
SCHEMBL8053601 0.81 IRAK4 (0.44) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL9581086 0.81 HTT (0.42) SLC6A2SLC6A4TAAR1AOC3SLC6A3

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-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 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-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C ADRA2A 5/4885ADRA2B 4/4885ADRA2C 3/4885

“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.