SCHEMBL4015985

SCHEMBL4015985

Cc1c(Cl)ccc2c1C(N)CC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 3/20 0.36

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
SCHEMBL4023017 0.81 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL4013776 0.81 ACHE (0.38) ACHE
SCHEMBL4017248 0.78 IL1RN (0.39) ACHE
SCHEMBL874814 0.77 ANPEP (0.43) ACHE
Hydrochloric Acid SCHEMBL584893 0.75 ANPEP (0.45) ACHE
SCHEMBL16395308 0.73 HTR2C (0.45) ACHEHTR2C
SCHEMBL16395441 0.73 HTR2C (0.45) ACHEHTR2C
SCHEMBL1151104 0.73 HTR2C (0.45) ACHEHTR2C
SCHEMBL1854099 0.69 ACHE (0.48) ACHE
SCHEMBL18116894 0.68 IL1RN (0.35)

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 ACHE 108/4885HTR2A 465/4885HTR2C 263/4885

“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.