SCHEMBL6000452

SCHEMBL6000452

Cc1cc(Oc2cccc3c2OCC3)c(CCNOC=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1A P08908 5/20 0.39
SLC6A4 P31645 5/20 0.39
NR3C1 P04150 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL6000410 0.89 HTR2A (0.39) HTR2AHTR2CHTR1ASLC6A4
Formic Acid SCHEMBL6000453 0.83 HTR2A (0.37) HTR2AHTR2CHTR1ASLC6A4NR3C1
Formic Acid SCHEMBL6000448 0.82 HTR2A (0.37) HTR2AHTR2CHTR1ASLC6A4NR3C1
SCHEMBL5999503 0.81 KCNH2 (0.34) HTR2ASLC6A4CHRM2CHRM1CHRM3
SCHEMBL6000267 0.81 FFAR1 (0.38) HTR2ASLC6A4RAB9A
SCHEMBL6000432 0.73 HTR2A (0.32) HTR2ASLC6A4
Formic Acid SCHEMBL6000411 0.72 PARP1 (0.38) HTR2AHTR2CHTR1ASLC6A4
Formic Acid SCHEMBL6000403 0.71 SLC6A4 (0.47) HTR2AHTR2CHTR1ASLC6A4
SCHEMBL5999794 0.69 HTR2A (0.33) HTR2ASLC6A4
SCHEMBL6000417 0.65 HTR2A (0.37) HTR2AHTR2CHTR1ASLC6A4

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B HTR2A 7/4885HTR2C 2/4885HTR1A 17/4885

“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.