SCHEMBL5679264

SCHEMBL5679264

CN(N=O)[C@H]1Cc2ccccc2[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.36
▸ HTR2C P28335 8/20 0.36
▸ HTR2B P41595 8/20 0.36
▸ HRH3 Q9Y5N1 8/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL5679296 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL5677090 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL10516445 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL8066004 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL8159478 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL5677111 0.80 SIGMAR1 (0.37) SIGMAR1OPRM1
SCHEMBL6712820 0.80 HTR1D (0.37) HTR1DHTR1BDRD3HTR6
SCHEMBL27583699 0.80 SIGMAR1 (0.37) SIGMAR1OPRM1
SCHEMBL5679230 0.78 SLC6A2 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL5676899 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BHRH3SIGMAR1

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
EP-1414426-B1 CARBOCYCLIC HYDRAZINO INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP (FI) 2006-03-01 — — EP disclosed
US-6982286-B2 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. (FI) 2006-01-03 — — US disclosed
US-20040236108-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORPORATION (FI) 2004-11-25 — — US disclosed
US-20030125360-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2003-07-03 — — 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 (2 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-20040236108-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases AOC2, VCAM1, AOC3 HTR2A 3923/4885HTR2C 3584/4885HTR2B 2953/4885
US-20030125360-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases AOC2, AOC3, AOC1 HTR2A 3787/4885HTR2C 3441/4885HTR2B 2831/4885

“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.

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