SCHEMBL3070143

SCHEMBL3070143

O=CNc1cc(C(O)CN(CCCCCCCCCCCNC(=O)O)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
ADRB2 P07550 7/20 0.39
ACP1 P24666 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN13 Q12923 1/20 0.35
SSU72 Q9NP77 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL13090610 0.93 TGM2 (0.42) APPADRB2
SCHEMBL14752729 0.89 BCHE (0.40) ADRB2MEN1KMT2A
SCHEMBL3978396 0.86 ADRB2 (0.43) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL967765 0.84 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL967764 0.84 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL967763 0.84 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL5279069 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL965283 0.82 ADRB2 (0.49) ADRB2
SCHEMBL965287 0.82 ADRB2 (0.49) ADRB2
SCHEMBL965285 0.82 ADRB2 (0.49) ADRB2

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-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY JOHNSON MICHAEL ROSS (US) 2013-03-07 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
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 (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-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY ADRB1, ADRB2, ADRA2B APP 667/4885ADRB2 2/4885ACP1 4742/4885
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY SCNN1G, SCNN1B, TRPV1 APP 1232/4885ADRB2 21/4885ACP1 3657/4885

“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.