SCHEMBL9891865

SCHEMBL9891865

CC(C)(C)C1CCCN1C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 2/20 0.39
MAPK1 P28482 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL16252998 0.95 CNR2 (0.47) MEN1TP53KMT2ACNR2SMN1; SMN2
SCHEMBL22541590 0.86 ALDH1A1 (0.44) CNR2DPP4
SCHEMBL16253016 0.81 ALDH1A1 (0.43) CNR2
SCHEMBL9891849 0.79 CNR2 (0.46) CNR2DPP4
SCHEMBL16480463 0.78 MEN1 (0.50) MEN1TP53KMT2ACNR2SMN1; SMN2
SCHEMBL16253021 0.77 CNR2 (0.46) CNR2
SCHEMBL16253013 0.76 CNR2 (0.46) CNR2DPP4
SCHEMBL22541593 0.76 DPP4 (0.36) DPP4
SCHEMBL16252997 0.75 CNR2 (0.47) CNR2
SCHEMBL9893038 0.74 MEN1 (0.46) MEN1TP53KMT2ACNR2SMN1; SMN2

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-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (3 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 MEN1 709/4885TP53 1604/4885KMT2A 643/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4874/4885TP53 4450/4885KMT2A 3551/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 MEN1 709/4885TP53 1604/4885KMT2A 643/4885

“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.