SCHEMBL927158

SCHEMBL927158

c1ccc(CN2CCC(=Nc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.59
MC4R P32245 1/20 0.50
DRD4 P21917 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CCR3 P51677 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11457324 0.85 CHRNB2 (0.51) SIGMAR1LMNAKDM4EALDH1A1TDP1
SCHEMBL7270268 0.80 SIGMAR1 (0.61) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL9232557 0.79 SIGMAR1 (0.59) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL17533384 0.77 SIGMAR1 (0.57) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL12493124 0.76 SIGMAR1 (0.55) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL11463836 0.76 SIGMAR1 (0.55) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576868 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2489199 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022359-B2 1,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-07-17 US disclosed
US-20170354648-A1 1,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-12-14 US disclosed
EP-2252149-B1 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL DEFENCE RES & DEV ORG (IN) 2013-11-20 EP disclosed
US-8399677-B2 Method for the preparation of fentanyl DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (IN) 2013-03-19 US disclosed
US-20110021781-A1 Method for the Preparation of Fentanyl Director General Defence Research & Development Organization, Ministry of Defence (IN) 2011-01-27 US disclosed
EP-2252149-A2 A METHOD FOR THE PREPARATION OF FENTANYL Director General, Defence Research & Development Organisation (IN) 2010-11-24 EP disclosed
WO-2009116084-A2 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION, MINISTRY OF DEFENCE (IN) 2009-09-24 WO disclosed
US-5145967-A Method for preparing 4-alkoxyalkyl-4-phenylaminopiperdines and derivatives thereof ANAQUEST, INC. (US) 1992-09-08 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 (2 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-20170354648-A1 1,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, SIGMAR1 SIGMAR1 3/4885MC4R 493/4885DRD4 71/4885
US-10022359-B2 1,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 SIGMAR1 3/4885MC4R 493/4885DRD4 71/4885

“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.