SCHEMBL5416481

SCHEMBL5416481

O=C1C=CC(=O)C2CNCC12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.35
HTR2C P28335 12/20 0.35
HTR2B P41595 12/20 0.35
CCR5 P51681 1/20 0.30

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 SCHEMBL5424420 0.97 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL3917737 0.78
SCHEMBL8874009 0.74 CCR5 (0.32) CCR5
SCHEMBL7492337 0.73 CCR5 (0.31) CCR5
SCHEMBL30249644 0.71
SCHEMBL24535981 0.67 ALDH1A1 (0.37) HTR2AHTR2CHTR2BCCR5
SCHEMBL1748458 0.67 HTR2A (0.32) HTR2AHTR2CHTR2BCCR5
SCHEMBL6212284 0.67 HTR2A (0.32) HTR2AHTR2CHTR2BCCR5
SCHEMBL11283022 0.67 ALDH1A1 (0.37)
SCHEMBL30600144 0.67 ALDH1A1 (0.37) HTR2AHTR2CHTR2BCCR5

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 3 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
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 HTR2A 203/4885HTR2C 222/4885HTR2B 431/4885

“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.