SCHEMBL17586256

SCHEMBL17586256

CC(=O)N(C)CC12CC(C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
GAA P10253 1/20 0.40
HDAC6 Q9UBN7 2/20 0.35
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HSD11B1 P28845 3/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL17586264 0.74 CHRM1 (0.34) CHRM1
SCHEMBL17586262 0.72 CHRM1 (0.33) P2RX7CHRM1
SCHEMBL17586252 0.72 CHRM1 (0.31) CHRM1
SCHEMBL24784854 0.71
SCHEMBL17586265 0.69 CHRM1 (0.31) CHRM1
SCHEMBL30984016 0.68 CHRM1 (0.41) CHRM1ALDH1A1MAPT
SCHEMBL21064418 0.68 PDK2 (0.31) CHRM1
SCHEMBL11170476 0.67 CHRM1 (0.35) CHRM1
SCHEMBL17586266 0.65 GRIN2D (0.39) GAAHDAC6ALDH1A1HSD17B10HDAC3
SCHEMBL21134513 0.64 EPHX1 (0.43) CHRM1

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-3193855-B1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2021-05-19 EP disclosed
US-10975035-B2 Bicyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-04-13 US disclosed
US-20190233377-A1 BICYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2019-08-01 US disclosed
US-10308609-B2 Bicyclic compounds Zeno Royalties & Milestones, LLC (US) 2019-06-04 US disclosed
US-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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-20190233377-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 P2RX7 643/4885GAA 2697/4885HDAC6 261/4885
US-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 P2RX7 643/4885GAA 2697/4885HDAC6 261/4885
US-10975035-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 P2RX7 643/4885GAA 2697/4885HDAC6 261/4885
US-10308609-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 P2RX7 643/4885GAA 2697/4885HDAC6 261/4885

“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.