SCHEMBL6754644

SCHEMBL6754644

O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
ADRA1B P35368 9/20 1.00
ADRA1A P35348 7/20 1.00
ADRA1D P25100 6/20 1.00
DRD2 P14416 5/20 1.00

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
SCHEMBL6752779 0.83 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6752801 0.82 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6752752 0.81 HTR1A (0.76) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6579957 0.81 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL9844858 0.80 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6751064 0.80 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6580134 0.79 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL3488017 0.79 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6581749 0.76 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6582012 0.75 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D

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-6706716-B2 NERVOUS SYSTEM DISORDERS; HYPOTENSIVE AGENTS; INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-16 US disclosed
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof H. LUNDBECK A/S (DK) 2002-03-07 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-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 HTR1A 67/4885ADRA1B 4/4885ADRA1A 2/4885

“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.