SCHEMBL13404615

SCHEMBL13404615

CC(C)NC(=O)OCCOC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
ADRA1A P35348 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSK P43235 4/20 0.36
MAPK1 P28482 1/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
ACHE P22303 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL4395913 0.80 ALDH1A1 (0.50) LMNACTSKCTSLCTSSCTSB
SCHEMBL2817049 0.79 ACHE (0.38) LMNANFKB1CA1CA2CA7
SCHEMBL28533566 0.78 TSHR (0.49) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL12846318 0.78 CA12 (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13438773 0.78 CHRNB2 (0.50) TSHRLMNANFKB1TDP1MAPK1
SCHEMBL21457974 0.77 CYP1A2 (0.43) CTSKCTSLCTSSCTSB
SCHEMBL4399439 0.77 CYP1A2 (0.43) CTSKCTSLCTSSCTSB
SCHEMBL19750410 0.76 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL19750413 0.76 ACHE (0.53) TDP1CA1CA2ACHECHRNB2
SCHEMBL5829583 0.76 TSHR (0.42) TSHRLMNACYP3A4NFKB1ADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 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 (3 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-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 TSHR 1274/4885LMNA 3878/4885CYP3A4 34/4885
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, CYP4F3 TSHR 1274/4885LMNA 3878/4885CYP3A4 34/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 TSHR 1274/4885LMNA 3878/4885CYP3A4 34/4885

“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.