SCHEMBL3049145

SCHEMBL3049145

Cc1nc(-c2ccc(Cl)cc2)nn1CCC(C)(C)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.44
NR1H2 P55055 2/20 0.41
POLB P06746 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 4/20 0.39
F2 P00734 3/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
KLK7 P49862 1/20 0.38
KLK14 Q9P0G3 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL4020084 0.90 RAB9A (0.44) NR1H3NR1H2POLBHDAC6TSHR
SCHEMBL3051245 0.88 TP53 (0.41) POLBHDAC6TSHRSMN1; SMN2LMNA
SCHEMBL1040926 0.88 LATS1 (0.40) NR1H3NR1H2POLBSMN1; SMN2RAB9A
SCHEMBL4850742 0.86 ALDH1A1 (0.42) HDAC6LMNARAB9AMAPTGAA
SCHEMBL13596187 0.82 NR1H3 (0.49) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL3048924 0.81 PPARG (0.35) HDAC6PDE10AHTT
SCHEMBL3050933 0.81 NR1H3 (0.42) NR1H3NR1H2POLBHDAC6TSHR
SCHEMBL1040692 0.80 NR1H3 (0.47) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL13076689 0.78 NR1H3 (0.45) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL1040782 0.77 LATS1 (0.42) HDAC6SMN1; SMN2RAB9AF2MAPT

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-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7423036-B2 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 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-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A NR1H3 1068/4885NR1H2 783/4885POLB 1972/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 NR1H3 424/4885NR1H2 319/4885POLB 3106/4885

“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.