SCHEMBL1855644

SCHEMBL1855644

Cc1ccc([N+](=O)[O-])c(NC(C)(C)CCN(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KAT2B Q92831 1/20 0.41
GRK6 P43250 2/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1855642 1.00 MAPT (0.42) MAPTKAT2BGRK6KDM4EGAA
SCHEMBL4395379 0.81 KAT2B (0.47) MAPTKAT2BGRK6KDM4ECYP3A4
SCHEMBL4395374 0.81 KAT2B (0.47) MAPTKAT2BGRK6KDM4ECYP3A4
SCHEMBL1856142 0.81 GUCY1A1 (0.36) MAPTKDM4EGAACYP3A4ALDH1A1
SCHEMBL1855648 0.79 MAPT (0.50) MAPTGAAALDH1A1KMT2ANPC1
SCHEMBL1855646 0.79 MAPT (0.50) MAPTGAAALDH1A1KMT2ANPC1
SCHEMBL27756761 0.75 MAPT (0.47) MAPTKAT2BGRK6KDM4ECYP3A4
SCHEMBL27756758 0.73 KAT2B (0.45) MAPTKAT2BGRK6CYP3A4TSHR
SCHEMBL18342237 0.71 HCAR3 (0.39) MAPTKAT2BKDM4ETSHRALDH1A1
SCHEMBL18342238 0.71 HCAR3 (0.39) MAPTKAT2BKDM4ETSHRALDH1A1

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-7939658-B2 Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-7534789-B2 Enantiomeric pure β agonists, manufacturing and use as a medicament thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 US disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B MAPT 4006/4885KAT2B 3198/4885GRK6 1431/4885

“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.