SCHEMBL6410834

SCHEMBL6410834

COc1c(Cl)cc(C(C)(C)C)c(Br)c1N1CCNC1=N

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6406841 0.89 HTR1A (0.32) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL6406322 0.88 CA2 (0.31)
SCHEMBL6409305 0.86
SCHEMBL6413314 0.82 ERBB2 (0.31)
SCHEMBL6406537 0.81
SCHEMBL6406793 0.74 HTR1A (0.37) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL6413185 0.73 HTR3E (0.33) HTR2AHTR2C
SCHEMBL6407860 0.69
SCHEMBL6405026 0.65
SCHEMBL6412077 0.63

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-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN HTR1A 2656/4885DRD2 982/4885DRD4 1889/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R HTR1A 3278/4885DRD2 1020/4885DRD4 1855/4885

“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.