SCHEMBL5426540

SCHEMBL5426540

O=C1CC(CNC2CC2)C(=O)N1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.44
HTR7 P34969 4/20 0.44
SLC6A4 P31645 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
CHRM1 P11229 2/20 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
Hydrochloric Acid SCHEMBL5422403 0.99 HTR1A (0.43) HTR1AHTR7SLC6A4ADRA1DADRA1A
Cyclopropane SCHEMBL5415502 0.90 HTR1A (0.45) HTR1AHTR7SLC6A4ADRA1DADRA1A
SCHEMBL5424192 0.90 HTR1A (0.43) HTR1AHTR7SLC6A4ADRA1DADRA1A
SCHEMBL5419385 0.89 HTR1A (0.53) HTR1AHTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL5415496 0.89 HTR1A (0.43) HTR1AHTR7SLC6A4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL5421743 0.89 HTR1A (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL5420326 0.87 ADRA1A (0.41) HTR1AADRA1DADRA1AADRA1BCHRM1
SCHEMBL5423722 0.86 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL5426683 0.86 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BCHRM1
Hydrochloric Acid SCHEMBL5436836 0.86 ADRA1A (0.41) HTR1AADRA1DADRA1AADRA1BCHRM1

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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 HTR1A 49/4885HTR7 382/4885SLC6A4 2086/4885

“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.