SCHEMBL1991044

SCHEMBL1991044

CC(C)(CO)N1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 9/20 0.34
APP P05067 5/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PSEN1 P49768 6/20 0.32
PSEN2 P49810 6/20 0.32
APH1B Q8WW43 6/20 0.32
NCSTN Q92542 6/20 0.32
APH1A Q96BI3 6/20 0.32
PSENEN Q9NZ42 6/20 0.32
RBP4 P02753 1/20 0.30

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
SCHEMBL4359416 0.83 HRH3 (0.46) CYP1A2HRH3
SCHEMBL4550248 0.83 CYP1A2 (0.46) CYP1A2APPHRH3
SCHEMBL27648358 0.82 KDM4E (0.33) CYP1A2HRH3
SCHEMBL24300560 0.79 CYP1A2 (0.44) CYP1A2CYP3A4APPPSEN1PSEN2
SCHEMBL4546643 0.79 CYP1A2 (0.41) CYP1A2CYP3A4APPPSEN1PSEN2
SCHEMBL1943559 0.78 HRH3 (0.45) CYP1A2HRH3RBP4
SCHEMBL1088328 0.77 USP2 (0.51) CYP1A2
SCHEMBL16356926 0.76 HSD17B10 (0.42) CYP1A2
SCHEMBL21551733 0.75 RIPK1 (0.36)
SCHEMBL23277743 0.75 CYP1A2 (0.42) CYP1A2

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
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
EP-1789404-B1 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2010-03-24 EP 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO CYP1A2 54/4885CYP3A4 19/4885APP 1757/4885

“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.