SCHEMBL13100669

SCHEMBL13100669

CCCCOc1ccc([C@@H](O)CNCCCCCCCCCCCN)cc1NC=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.46
▸ ADRB1 P08588 7/20 0.46
▸ ADRB3 P13945 7/20 0.46
▸ PDE4B Q07343 5/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13090612 0.84 ADRB2 (0.52) ADRB2ADRB1ADRB3MAPK1
SCHEMBL13892852 0.82 MAPK1 (0.46) ADRB2ADRB1ADRB3MAPTMAPK1
SCHEMBL3060193 0.80 ADRB2 (0.59) ADRB2ADRB1ADRB3PDE4BMAPK1
SCHEMBL2056234 0.80 MAPK1 (0.46) ADRB2ADRB1ADRB3MAPTMAPK1
SCHEMBL3060189 0.80 ADRB2 (0.59) ADRB2ADRB1ADRB3PDE4BMAPK1
SCHEMBL13617661 0.78 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL13100668 0.76 ADRB1 (0.37) ADRB2ADRB1ADRB3PDE4B
SCHEMBL18415171 0.75 MAPK1 (0.41) ADRB2ADRB1ADRB3MAPTMAPK1
SCHEMBL11671740 0.74 ADRB2 (0.61) ADRB2ADRB1ADRB3MAPK1
SCHEMBL2056232 0.74 ADRB2 (0.65) ADRB2ADRB1ADRB3MAPK1

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-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 — — 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-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY ADRB1, ADRB2, ADRA2B ADRB2 2/4885ADRB1 1/4885ADRB3 5/4885

“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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