SCHEMBL6892797

SCHEMBL6892797

CN(C)CCOc1ccccc1Cc1ccnn1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD1 P21728 2/20 0.58
DRD4 P21917 1/20 0.58
DRD5 P21918 1/20 0.58
HRH1 P35367 3/20 0.50
HTR7 P34969 3/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
HTR1B P28222 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KAT2B Q92831 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6651356 0.88 DRD2 (0.44) DRD2DRD1DRD4DRD5HRH1
Citric Acid SCHEMBL8657218 0.85 KDM4E (0.70) DRD2DRD1DRD4DRD5HRH1
SCHEMBL6650105 0.83 NR4A2 (0.42) DRD2DRD1DRD4DRD5KDM4E
SCHEMBL6651166 0.80 KDM4E (0.38) DRD2DRD1DRD4DRD5HTR7
Dimethylamine SCHEMBL7755880 0.80 THRB (0.44) HTR7LMNAALDH1A1
SCHEMBL6673116 0.79 HRH1 (0.54) DRD2DRD1DRD4DRD5HRH1
SCHEMBL5599334 0.79 ADRB2 (0.35) DRD2DRD1DRD4DRD5HRH1
SCHEMBL4303080 0.77 HTR7 (0.36) DRD2DRD1DRD4DRD5HTR7
SCHEMBL4909282 0.77 KAT2B (0.34) DRD2DRD1DRD4DRD5HTR7
SCHEMBL7755873 0.76 MAOA (0.40) DRD2DRD1DRD4DRD5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142929-A1 Derivatives of aryl (or heteroaryl) azolylcarbinoles for the treatment of urinary incontinence LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-07-22 US disclosed
EP-0808308-B1 METHOD FOR SEPARATING CARBINOLS ESTEVE LABOR DR (ES) 2001-03-07 EP disclosed
US-5849931-A Process for separating carbinols LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1998-12-15 US disclosed
EP-0808308-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP disclosed
WO-1997020817-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-12 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 (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-20040142929-A1 Derivatives of aryl (or heteroaryl) azolylcarbinoles for the treatment of urinary incontinence AADAC, AHR, ABAT DRD2 1336/4885DRD1 1457/4885DRD4 2963/4885

“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.