SCHEMBL1709306

SCHEMBL1709306

CC[C@@H](Cc1ccc2ccccc2c1)C(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ACE P12821 3/20 0.46
MME P08473 3/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
MMP9 P14780 2/20 0.42
MMP8 P22894 1/20 0.42
FCER2 P06734 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41

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
SCHEMBL1703226 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BACEMME
SCHEMBL1705759 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BACEMME
SCHEMBL12191628 0.83 MME (0.55) HTR2AHTR2CHTR2BACEMME
SCHEMBL1709316 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BACEMME
SCHEMBL1709349 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BACEMME
SCHEMBL1709341 0.81 CYP1A2 (0.60) CPA1CYP1A2
SCHEMBL16724762 0.81 HTR2A (0.57) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL7324604 0.81 MME (0.50) HTR2AHTR2CHTR2BACEMME
SCHEMBL8872177 0.79 CYP1A2 (0.62) HTR2AHTR2CHTR2BACEMME
SCHEMBL12827325 0.79 MME (0.49) HTR2AHTR2CHTR2BACEMME

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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HTR2A 3026/4885HTR2C 3558/4885HTR2B 2710/4885

“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.