SCHEMBL733136

SCHEMBL733136

CC(C)c1cc2c(cn1)OC1(CCN(C(=O)c3cc(-c4nnn[nH]4)c4ccn(C5CC5)c4c3)CC1)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.41
ACACA Q13085 2/20 0.41

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
SCHEMBL743853 0.89 ACACB (0.43) ACACBACACA
SCHEMBL731125 0.83 ACACB (0.49) ACACBACACA
SCHEMBL730675 0.83 ACACB (0.51) ACACBACACA
SCHEMBL730814 0.82 ACACB (0.48) ACACBACACA
SCHEMBL733299 0.81 ACACB (0.47) ACACBACACA
SCHEMBL733069 0.81 EPHX2 (0.49) ACACBACACA
SCHEMBL731904 0.80 ACACB (0.44) ACACBACACA
SCHEMBL309920 0.79 ACACB (0.56) ACACBACACA
SCHEMBL309427 0.79 ACACB (0.50) ACACBACACA
SCHEMBL308164 0.78 ACACB (0.56) ACACBACACA

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP claimed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US claimed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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 (1 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 ACACB 77/4885ACACA 18/4885

“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.