SCHEMBL21101468

SCHEMBL21101468

CC(C)(C)C1(C(C)(C)C)COC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 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
SCHEMBL3582830 0.69
SCHEMBL736375 0.69
SCHEMBL13303827 0.67 GABRP (0.33) MGLL
SCHEMBL10428540 0.65
SCHEMBL22738856 0.65 CRBN (0.33)
SCHEMBL21101299 0.64 LMNA (0.38)
SCHEMBL4462359 0.64 S1PR1 (0.33)
SCHEMBL4446549 0.64 NPSR1 (0.34) MGLL
SCHEMBL21101220 0.64 NR1I2 (0.30)
SCHEMBL12544783 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428070-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-20190177320-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-06-13 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 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 (4 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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR MGLL 1143/4885
US-20190177320-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF MGLL 3438/4885
US-10428070-B2 Hepatitis B antiviral agents HAVCR2, SLC10A1, HDGF MGLL 3438/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR MGLL 1143/4885

“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.