SCHEMBL6746093

SCHEMBL6746093

NC[C@H]1CC(O)c2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.40
HTR2A P28223 10/20 0.40
HTR2B P41595 9/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
HRH1 P35367 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 1/20 0.34

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
SCHEMBL5732591 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BMAOAMAOB
SCHEMBL6746064 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BMAOAMAOB
SCHEMBL6748708 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BMAOAMAOB
SCHEMBL13621770 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BMAOAMAOB
Hydrochloric Acid SCHEMBL6747587 0.98 HTR2C (0.42) HTR2CHTR2AHTR2BMAOAMAOB
Hydrochloric Acid SCHEMBL6747588 0.98 HTR2C (0.42) HTR2CHTR2AHTR2BMAOAMAOB
SCHEMBL27623196 0.83 MAOA (0.37) HTR2CHTR2AMAOAMAOBSLC6A2
SCHEMBL25372050 0.80 POLB (0.36) MAOAMAOBMEN1KMT2A
SCHEMBL27531884 0.79 HTT (0.43) SLC6A2HTR1AADRA2ADRD1TBXA2R
SCHEMBL25369666 0.78 GRM2 (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812353-B2 INTERMEDIATES FOR CENTRAL NERVOUS SYSTEM MEDICATIONS; PRIMARY AMINE FUNCTIONALITY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-11-02 US disclosed
US-20040092579-A1 Central nervous system diosrders; catalytic hydrogenation MERCK GMBH (DE) 2004-05-13 US disclosed
EP-1317438-A1 CHROMANONE DERIVATIVES MERCK PATENT GmbH (DE) 2003-06-11 EP disclosed
WO-2002020507-A1 CHROMANONE DERIVATIVES MERCK PATENT GMBH (DE) 2002-03-14 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-20040092579-A1 Central nervous system diosrders; catalytic hydrogenation CBR3, CBR1, HCRTR1 HTR2C 171/4885HTR2A 542/4885HTR2B 518/4885

“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.