SCHEMBL1413686

SCHEMBL1413686

COC(=O)N1CCC(N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
TSHR P16473 1/20 0.41
PDE4B Q07343 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
EPHX1 P07099 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
BRD4 O60885 2/20 0.37
BRDT Q58F21 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL28473237 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL28473349 0.89 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL24756015 0.89 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL6067844 0.89 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL1564372 0.88 EPHX1 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
Hydrochloric Acid SCHEMBL4097350 0.86 GNAI3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL7954919 0.83
SCHEMBL8223865 0.83 CHRM1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL15970914 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL30185893 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188027-B Aromatic heterocyclic derivative and application thereof in medicine 广东东阳光药业有限公司 2020-10-20 CN disclosed
CN-106496209-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-30 CN disclosed
CN-106496210-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-09 CN disclosed
CN-106518856-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-04-28 CN disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 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 (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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 CHRNB2 28/4885CHRNA4 11/4885CHRNB4 34/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CHRNB2 38/4885CHRNA4 10/4885CHRNB4 34/4885

“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.