SCHEMBL4013412

SCHEMBL4013412

O=C=NC1Cc2ccc(F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ACHE P22303 1/20 0.38
SLC6A4 P31645 3/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD1 P21728 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
SCHEMBL4016909 0.79 METAP1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1193046 0.77 ANPEP (0.39) ALDH1A1
SCHEMBL4015553 0.69 DRD2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3964498 0.69 SLC6A4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13534180 0.69 ACHE (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12607361 0.69 CA1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1240585 0.69 CA1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12993448 0.69 SLC6A4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12633939 0.69 CA1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6508981 0.68

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 PSEN1 4237/4885PSEN2 3029/4885APH1B 3794/4885

“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.