SCHEMBL6464409

SCHEMBL6464409

COc1ccc(F)c(COS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MTNR1B P49286 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
APLNR P35414 1/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL30483676 0.83 FFAR4 (0.42) FFAR4
SCHEMBL6258308 0.82 IDO1 (0.60) MTNR1BADRA1ATAAR1IDO1
SCHEMBL15413757 0.80 PSEN1 (0.41) FFAR4ADRA1A
SCHEMBL12093575 0.79 CHRM2 (0.50) CHRM2CHRM1CHRM3MTNR1BFFAR4
SCHEMBL8688214 0.79 APLNR (0.53) APLNRIDO1
SCHEMBL16318812 0.79 FFAR1 (0.47)
SCHEMBL7726702 0.77 CHRM2 (0.55) CHRM2CHRM1CHRM3MTNR1BADRA1A
SCHEMBL28969196 0.77 SLC6A4 (0.50) CHRM2CHRM1CHRM3MTNR1B
SCHEMBL15728507 0.76 CYP3A4 (0.38) APLNRIDO1
SCHEMBL20303666 0.76 IDO1 (0.58) IDO1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 WO 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 CHRM2 101/4885CHRM1 20/4885CHRM3 53/4885

“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.