SCHEMBL4015553

SCHEMBL4015553

O=C=NC1Cc2cccc(F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.42
DRD3 P35462 9/20 0.42
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
AADAT Q8N5Z0 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
SCHEMBL4016131 0.80 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4021053 0.80 TRPA1 (0.33)
SCHEMBL1193046 0.78 ANPEP (0.39)
SCHEMBL4013412 0.69 PSEN1 (0.38) DRD2DRD3PSEN1PSEN2APH1B
SCHEMBL6129157 0.69 CYP3A4 (0.39) DRD2DRD3
SCHEMBL16233590 0.69 DRD2 (0.52) DRD2DRD3HTR1AHTR7
SCHEMBL5659277 0.68 CYP19A1 (0.44)
SCHEMBL31277853 0.67 DRD2 (0.70) DRD2DRD3HTR1AHTR7AADAT
SCHEMBL1239050 0.67 DRD2 (0.70) DRD2DRD3HTR1AHTR7AADAT
SCHEMBL4023875 0.67 PLAU (0.46) HTR1A

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-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C DRD2 801/4885DRD3 903/4885PSEN1 4237/4885

“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.