SCHEMBL6585818

SCHEMBL6585818

CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.88
ADRA1A P35348 20/20 0.88
ADRA1B P35368 7/20 0.87
HTR1A P08908 1/20 0.64
DRD2 P14416 1/20 0.64
HTR7 P34969 1/20 0.64
DRD3 P35462 1/20 0.64

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
SCHEMBL6586620 0.94 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6584584 0.93 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6585122 0.93 ADRA1D (0.90) ADRA1DADRA1AADRA1B
SCHEMBL6584757 0.92 ADRA1D (0.87) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6585671 0.91 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL8010672 0.88 ADRA1D (0.84) ADRA1DADRA1AADRA1B
SCHEMBL6586285 0.88 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6587554 0.88 ADRA1D (0.82) ADRA1DADRA1AADRA1B
SCHEMBL6586361 0.88 ADRA1D (0.87) ADRA1DADRA1AADRA1BDRD2
SCHEMBL6586679 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2

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
EP-1056720-B1 PHTALIMIDO ARYLPIPERAZINES AS ALPHA 1A RECEPTOR ANTAGONISTS USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA ORTHO MCNEIL PHARM INC (US) 2004-10-20 EP claimed
EP-1346983-A2 Phthalimido arylpiperazines as alpha 1A receptor antagonists useful in the treatment of benign prostatic hyperplasia Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP claimed
US-20030088099-A1 Novel phthalimido arylpiperazines useful in the treatment of benign prostatic hyperplasia KUO GEE-HONG (US) 2003-05-08 US claimed
US-20020077476-A1 Novel phthalimido arylpiperazines useful in the treatment of benign prostatic hyperplasia KUO GEE-HONG (US) 2002-06-20 US claimed
EP-1056720-A1 PHTALIMIDO ARYLPIPERAZINES AS ALPHA 1A RECEPTOR ANTAGONISTS USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-12-06 EP claimed
US-6063785-A ISOMERS OF DRUGS FOR RACEMIC MIXTURES ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 2000-05-16 US claimed
WO-1999042445-A1 PHTALIMIDO ARYLPIPERAZINES AS ALPHA 1A RECEPTOR ANTAGONISTS USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-08-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020077476-A1 Novel phthalimido arylpiperazines useful in the treatment of benign prostatic hyperplasia ADRB1, ADRA1A, ADRA1D ADRA1D 3/4885ADRA1A 2/4885ADRA1B 4/4885
US-20030088099-A1 Novel phthalimido arylpiperazines useful in the treatment of benign prostatic hyperplasia ADRB1, ADRA1A, ADRA1D ADRA1D 3/4885ADRA1A 2/4885ADRA1B 4/4885

“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.