SCHEMBL5883989

SCHEMBL5883989

CC(C)(C)OC(=O)N1CCN(c2nccc(NCc3cccc(Cl)c3)n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.79
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
CCNT1 O60563 1/20 0.49
CCR4 P51679 3/20 0.47

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
SCHEMBL5883101 0.85 ACHE (0.57) ACHECCNT1CCR4
SCHEMBL6284124 0.83 ACHE (0.54) ACHECCNT1
SCHEMBL906071 0.78 ACHE (0.74) ACHECCR4
SCHEMBL21301932 0.77 ACHE (0.47) ACHECCNT1
SCHEMBL30516377 0.77 ACHE (0.47) ACHECCNT1
SCHEMBL1433109 0.76 ACHE (0.61) ACHEDDB1CRBN
SCHEMBL30166226 0.76 ACHE (0.61) ACHEDDB1CRBN
SCHEMBL4616010 0.76 ACHE (0.46) ACHECCNT1
SCHEMBL31066761 0.75 MET (0.51) ACHECCNT1
SCHEMBL22712827 0.75 MET (0.51) ACHECCNT1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 US disclosed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US disclosed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 US disclosed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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 (3 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-20050032809-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A ACHE 610/4885DDB1 4781/4885CRBN 4297/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A ACHE 638/4885DDB1 4722/4885CRBN 4206/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A ACHE 610/4885DDB1 4781/4885CRBN 4297/4885

“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.