SCHEMBL1813484

SCHEMBL1813484

COc1cc(C(=O)n2ccnc2)cc2c(C3CC3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.38
MAPK7 Q13164 10/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CHRM4 P08173 2/20 0.35
PDE2A O00408 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL1809119 0.81 CA12 (0.43) MAPK7
SCHEMBL1812858 0.79 MAPT (0.40) PDE4DLMNAMAPK7
SCHEMBL28562715 0.73 POLB (0.41) NPC1POLB
SCHEMBL1812763 0.70 KDM4E (0.39) MAPK7NPC1
SCHEMBL27431185 0.69 HSD11B1 (0.43) LMNANPC1POLBCHRM4
SCHEMBL1810966 0.69 PDE4B (0.38) PDE4BPDE4DLMNA
SCHEMBL1811920 0.69 TSHR (0.44) PDE4BPDE4DLMNAMAPK7POLB
SCHEMBL1811228 0.69 KDM4E (0.44) LMNAMAPK7NPC1POLB
SCHEMBL1809745 0.66 CA12 (0.45) PDE4BPDE4DLMNAMAPK7
SCHEMBL7373697 0.66 MAPT (0.49) POLB

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
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
US-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 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 (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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 PDE4B 1456/4885PDE4D 1997/4885LMNA 2178/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 PDE4B 2590/4885PDE4D 2972/4885LMNA 2480/4885

“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.