SCHEMBL6785268

SCHEMBL6785268

CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)cc2F)N(N(C=O)CCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.60
ADRA1A P35348 20/20 0.60
ADRA1B P35368 20/20 0.60

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
SCHEMBL6782946 0.91 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL7944684 0.87 ADRA1D (0.49) ADRA1DADRA1AADRA1B
SCHEMBL8669156 0.87 ADRA1D (0.66) ADRA1DADRA1AADRA1B
SCHEMBL6201662 0.85 ADRA1D (0.61) ADRA1DADRA1AADRA1B
SCHEMBL7955141 0.77 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL7957638 0.77 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL6245660 0.77 ADRA1D (0.53) ADRA1DADRA1AADRA1B
SCHEMBL6785271 0.76 ADRA1A (0.50) ADRA1DADRA1AADRA1B
SCHEMBL6291406 0.72 ADRA1D (0.48) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7957953 0.72 ADRA1D (0.49) ADRA1DADRA1AADRA1B

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-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1D 3/4885ADRA1A 4/4885ADRA1B 9/4885

“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.