SCHEMBL15032056

SCHEMBL15032056

OCCC1=CCc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
NQO2 P16083 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
KDM4C Q9H3R0 1/20 0.34
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
NOS3 P29474 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
DPP9 Q86TI2 1/20 0.31
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31
NPC1 O15118 1/20 0.30
IDO1 P14902 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL8246440 0.83 HTR7 (0.45) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL14155148 0.80 HTR7 (0.40) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL8430589 0.80 HTR7 (0.43) HTR7NQO2MTNR1AMTNR1BACHE
SCHEMBL8253224 0.80 HTR7 (0.40) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL11768880 0.79 HTR7 (0.49) HTR7NQO2MTNR1AMTNR1BACHE
SCHEMBL7571658 0.79 DPP9 (0.40) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL8255726 0.79 HTR7 (0.39) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL11659645 0.77 PPARG (0.45) NQO2MTNR1AMTNR1BKDM4C
SCHEMBL2590701 0.76 NQO2 (0.48) HTR7NQO2MTNR1AMTNR1BKDM4C
SCHEMBL8349133 0.76 NQO2 (0.62) HTR7NQO2MTNR1AMTNR1BACHE

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-8779160-B2 Process for the preparation of (1r,4r)-6′-fluoro-(N,N-dimethyl- and N-methyl)-4-phenyl-4′,9′-dihydro-3′H-spiro[cyclohexane-1,1′-pyrano-[3,4,b]indol]-4-amine GRUENENTHAL GMBH (DE) 2014-07-15 US disclosed
US-20130150590-A1 Process for the preparation of (1r,4r)-6'-fluoro-(N,N-dimethyl- and N-methyl)-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano-[3,4,b]indol]-4-amine GRUENENTHAL GMBH (DE) 2013-06-13 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-20130150590-A1 Process for the preparation of (1r,4r)-6'-fluoro-(N,N-dimethyl- and N-methyl)-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano-[3,4,b]indol]-4-amine HTR4, HTR1B, HTR1A HTR7 21/4885NQO2 1016/4885MTNR1A 336/4885

“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.