SCHEMBL4017248

SCHEMBL4017248

Cc1c(Br)ccc2c1C(N)CC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.39
ERAP2 Q6P179 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ACHE P22303 3/20 0.36
ANPEP P15144 5/20 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
SCHEMBL4013776 0.81 ACHE (0.38) ACHEANPEP
SCHEMBL4015985 0.78 ACHE (0.36) ACHE
SCHEMBL874814 0.77 ANPEP (0.43) ACHEANPEP
Hydrochloric Acid SCHEMBL584893 0.75 ANPEP (0.45) ACHEANPEP
SCHEMBL1150677 0.73 ACHE (0.44) ACHEANPEP
SCHEMBL31186913 0.73 ACHE (0.44) ACHEANPEP
SCHEMBL15129431 0.73 ACHE (0.44) ACHEANPEP
SCHEMBL15129284 0.73 ACHE (0.44) ACHEANPEP
Hydrochloric Acid SCHEMBL20598212 0.72 ACHE (0.47) ACHEANPEP
SCHEMBL8252916 0.70 IL1RN (0.46) IL1RNERAP2ERAP1ACHEANPEP

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 IL1RN 3974/4885ERAP2 552/4885ERAP1 1577/4885

“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.