SCHEMBL1709349

SCHEMBL1709349

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 1/20 0.49
MME P08473 2/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
MMP9 P14780 3/20 0.44
MMP8 P22894 2/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
TACR1 P25103 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 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
SCHEMBL1709316 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL12191628 0.86 MME (0.55) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL7324604 0.83 MME (0.50) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL1709306 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8872177 0.82 CYP1A2 (0.62) HTR2AHTR2CHTR2BCYP1A2MME
SCHEMBL9592707 0.81 MME (0.51) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL1709339 0.80 CYP1A2 (0.64) CYP1A2MMECPA1
SCHEMBL1709283 0.80 CYP1A2 (0.64) CYP1A2MMECPA1
SCHEMBL9592092 0.80 PPARG (0.48) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL1709297 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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.