SCHEMBL3556206

SCHEMBL3556206

O=C(C1CNCCO1)N1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 14/20 0.37
ATR Q13535 1/20 0.36
SSTR1 P30872 2/20 0.34
SSTR2 P30874 2/20 0.34
SSTR3 P32745 2/20 0.34
SSTR5 P35346 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13012231 0.85 SSTR4 (0.42) SSTR4ATRKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL15322193 0.83 SSTR4 (0.41) SSTR4ATRSSTR1SSTR2SSTR3
SCHEMBL15408885 0.83 SSTR4 (0.38) SSTR4TSHRCHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL15322195 0.83 SSTR4 (0.41) SSTR4ATRSSTR1SSTR2SSTR3
SCHEMBL4204653 0.81 SSTR4 (0.37) SSTR4ATRSSTR1SSTR2SSTR3
SCHEMBL30860003 0.81 CHRNB2 (0.53) SSTR4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL31464974 0.81 CHRNB2 (0.53) SSTR4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3122976 0.75 RECQL (0.56) KDM4EALDH1A1TSHRHSD17B10RECQL
SCHEMBL3550415 0.75 RECQL (0.56) KDM4EALDH1A1TSHRHSD17B10RECQL
SCHEMBL1602135 0.75 RECQL (0.56) KDM4EALDH1A1TSHRHSD17B10RECQL

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-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 SSTR4 3562/4885ATR 216/4885SSTR1 2915/4885

“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.