SCHEMBL4881023

SCHEMBL4881023

O=C(Oc1ncccc1Br)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SCN3A Q9NY46 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL3835050 0.78 ELANE (0.43) ELANESCN4AHTR2CHTR2BCYP1A2
SCHEMBL21853238 0.77 ELANE (0.42) ELANECHRNB2CHRNA4SCN4AHTR2C
SCHEMBL21853251 0.77 ELANE (0.42) ELANECHRNB2CHRNA4SCN4AHTR2C
SCHEMBL16197773 0.72 HTT (0.46) ELANESCN4AHTR2CHTR2B
SCHEMBL3060268 0.72 HTT (0.46) ELANESCN4AHTR2CHTR2B
SCHEMBL30181464 0.71 CHRNA3 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29007986 0.71 CHRNA3 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29007987 0.71 CHRNA3 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23356900 0.71 DPP4 (0.49) ELANESCN4AHTR2CHTR2BALDH1A1
SCHEMBL2016284 0.71 DPP4 (0.49) ELANESCN4AHTR2CHTR2BALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 — — 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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 CHRNB4 487/4885CHRNA3 217/4885ELANE 2029/4885

“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.

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