SCHEMBL12869332

SCHEMBL12869332

CC1CC(C(=O)O)N(C(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34
ACE P12821 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
PEPD P12955 1/20 0.33
REN P00797 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
SCHEMBL19650723 1.00 ATM (0.40) ATMMAPTEPHX1ACECHRNB2
SCHEMBL21621509 1.00 ATM (0.40) ATMMAPTEPHX1ACECHRNB2
SCHEMBL15077292 1.00 ATM (0.40) ATMMAPTEPHX1ACECHRNB2
SCHEMBL16186342 1.00 ATM (0.40) ATMMAPTEPHX1ACECHRNB2
SCHEMBL15077296 1.00 ATM (0.40) ATMMAPTEPHX1ACECHRNB2
SCHEMBL19090801 0.84 ATM (0.53) ATMMAPTACEREN
SCHEMBL22853605 0.84 ATM (0.53) ATMMAPTACEREN
SCHEMBL10105388 0.84 ATM (0.53) ATMMAPTACEREN
SCHEMBL10021563 0.84 ATM (0.53) ATMMAPTACEREN
SCHEMBL9108324 0.84 ATM (0.53) ATMMAPTACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850225-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ATM 3247/4885MAPT 45/4885EPHX1 4478/4885

“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.