SCHEMBL6785271

SCHEMBL6785271

CCN(C(=O)CCCN1CCC(C#N)(c2ccccc2)CC1)C1=C(C(=O)OCc2ccccc2)C(c2ccc(F)cc2F)NC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.50
ADRA1D P25100 15/20 0.50
ADRA1B P35368 15/20 0.50
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL6782951 0.91 ADRA1A (0.53) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6201664 0.85 ADRA1A (0.53) ADRA1AADRA1DADRA1B
SCHEMBL6245662 0.81 ADRA1A (0.53) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6784825 0.78 ADRA1A (0.52) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL8669156 0.77 ADRA1D (0.66) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6785268 0.76 ADRA1D (0.60) ADRA1AADRA1DADRA1B
SCHEMBL8640592 0.73 ADRA1D (0.56) ADRA1AADRA1DADRA1B
SCHEMBL6245660 0.72 ADRA1D (0.53) ADRA1AADRA1DADRA1B
SCHEMBL6291406 0.71 ADRA1D (0.48) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7953254 0.69 ADRA1A (0.52) ADRA1AADRA1DADRA1BOPRM1

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-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
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP 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 ADRA1A 4/4885ADRA1D 3/4885ADRA1B 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.