SCHEMBL3050933

SCHEMBL3050933

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.42
NR1H2 P55055 2/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 3/20 0.38
LIPE Q05469 5/20 0.37
ACHE P22303 4/20 0.37
BCHE P06276 2/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
F2 P00734 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
KLK7 P49862 1/20 0.36
KLK14 Q9P0G3 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL3058686 0.91 F2 (0.39) NR1H3NR1H2POLBTSHRSMN1; SMN2
SCHEMBL4427852 0.89 TP53 (0.37) POLBTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL3058684 0.87 BCHE (0.40) LMNALIPEACHEBCHEKMT2A
SCHEMBL3060864 0.82 XPO1 (0.32)
SCHEMBL3049145 0.81 NR1H3 (0.44) NR1H3NR1H2POLBTSHRSMN1; SMN2
SCHEMBL13596187 0.79 NR1H3 (0.49) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL1040692 0.77 NR1H3 (0.47) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL13076689 0.75 NR1H3 (0.45) NR1H3NR1H2POLBSMN1; SMN2LMNA
SCHEMBL3049169 0.74 HSD17B10 (0.41) TSHRSMN1; SMN2LMNALIPEACHE
SCHEMBL1040926 0.74 LATS1 (0.40) NR1H3NR1H2POLBSMN1; SMN2KMT2A

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 2 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-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 NR1H3 956/4885NR1H2 659/4885POLB 2535/4885
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.