SCHEMBL1937433

SCHEMBL1937433

CCCCOC(=O)N1CC[N]CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 3/20 0.44
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
BCHE P06276 1/20 0.38
RECQL P46063 1/20 0.38
PLA2G2A P14555 2/20 0.37

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
SCHEMBL7510677 0.95 POLB (0.57) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL4687715 0.93 LMNA (0.55) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL3953195 0.89 POLB (0.49) POLBSMN1; SMN2LMNAALDH1A1ATM
SCHEMBL5542964 0.89 SMN1; SMN2 (0.51) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL5535309 0.88 LMNA (0.50) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL9405372 0.87 POLB (0.73) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL1859157 0.83 SMN1; SMN2 (0.69) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL3634052 0.83 SMN1; SMN2 (0.69) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL5543852 0.83 SMN1; SMN2 (0.44) POLBSMN1; SMN2LMNAALDH1A1ATM
SCHEMBL74877 0.83 TSHR (0.57) POLBSMN1; SMN2LMNAALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027106-A2 CGRP RECEPTOR ANTAGONISTS Vertex Pharmaceuticals Incorporated (US) 2009-02-25 EP claimed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
EP-2027106-A2 CGRP RECEPTOR ANTAGONISTS Vertex Pharmaceuticals Incorporated (US) 2009-02-25 EP disclosed
EP-1373234-B1 UROKINASE INHIBITORS WILEX AG (DE) 2008-02-13 EP disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 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 (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-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 POLB 3988/4885SMN1; SMN2 2846/4885LMNA 1228/4885
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 POLB 3203/4885SMN1; SMN2 4594/4885LMNA 3173/4885

“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.