SCHEMBL7643497

SCHEMBL7643497

O=C1N[C@@H](Cc2ccccc2)CO1.O=C1N[C@H](Cc2ccccc2)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.45
HTR1B P28222 6/20 0.45
HTR1A P08908 3/20 0.44
HTR2A P28223 2/20 0.44
KMT2A Q03164 1/20 0.44
ADRA1A P35348 1/20 0.44
MAOB P27338 1/20 0.44
HTR1F P30939 1/20 0.43
POLB P06746 1/20 0.42
SCN9A Q15858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL7643502 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4328 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL16106155 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL4329 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL137215 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7291306 0.98 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7291301 0.98 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL9433756 0.88 HTR1D (0.39) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647546 0.83 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15304333 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A

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-20020099227-A1 Processesand intermediatesfor preparing substitutedchromanol derivatives PISCOPIO ANTHONY (US) 2002-07-25 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-20020099227-A1 Processesand intermediatesfor preparing substitutedchromanol derivatives CYP11B1, CYP11B2, CYP51A1 HTR1D 894/4885HTR1B 2286/4885HTR1A 506/4885

“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.