SCHEMBL1814733

SCHEMBL1814733

O=C1[CH]C2(CCNCC2)Oc2ccc(-c3nnn[nH]3)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRD1 P41143 16/20 0.35
KCNH2 Q12809 13/20 0.35
OPRK1 P41145 7/20 0.35
CYP2D6 P10635 7/20 0.34
OPRM1 P35372 2/20 0.34
HTR2C P28335 2/20 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
SCHEMBL551048 0.80 HDAC3 (0.48) MAPTTDP1
SCHEMBL308929 0.80 HDAC3 (0.48)
Hydrochloric Acid SCHEMBL308063 0.79 HDAC3 (0.47)
SCHEMBL1815065 0.76
SCHEMBL13601359 0.73 OPRD1 (0.63) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL12835953 0.68 HDAC3 (0.48)
SCHEMBL731811 0.67 EPHX2 (0.46)
SCHEMBL9963322 0.66 KDM4E (0.41)
SCHEMBL11625180 0.66 MAOB (0.35) MAPTTDP1
SCHEMBL11619908 0.66 PTPRC (0.35) MAPT

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 MAPT 2098/4885TDP1 4177/4885OPRD1 1395/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 MAPT 2000/4885TDP1 4146/4885OPRD1 3595/4885

“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.