SCHEMBL6476567

SCHEMBL6476567

CC(=NO)c1ccc2c(c1O)CC(CO)CO2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
MTNR1A P48039 1/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 2/20 0.30
HTR1A P08908 1/20 0.30
DRD1 P21728 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6476465 0.84 MAPK1 (0.42) MAPK1MTNR1ADRD2
SCHEMBL4369638 0.74 SLC2A1 (0.33) MTNR1ASLC2A1POLBLMNAMAPT
SCHEMBL4369653 0.74 SLC2A1 (0.33) MTNR1ASLC2A1POLBLMNAMAPT
SCHEMBL4369650 0.74 SLC2A1 (0.33) MTNR1ASLC2A1POLBLMNAMAPT
SCHEMBL4369636 0.74 SLC2A1 (0.33) MTNR1ASLC2A1POLBLMNAMAPT
SCHEMBL10025493 0.69 MTNR1A (0.34) MTNR1ADRD2HTR1ADRD1HTR1B
SCHEMBL8131743 0.64 HTR1A (0.64) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL10829330 0.61 MAPK1 (0.50) MAPK1MTNR1APOLBDRD2
SCHEMBL2247241 0.59 SIGMAR1 (0.52) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL18717468 0.59 ESR1 (0.48) SLC2A1POLBMAPTKMT2A

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-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists WYETH (US) 2005-04-21 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-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1B MAPK1 3707/4885MTNR1A 24/4885SLC2A1 4191/4885

“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.