SCHEMBL14914397

SCHEMBL14914397

CCC1CN(C(=O)O)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
MAPT P10636 6/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
TGM2 P21980 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
JAK3 P52333 2/20 0.34

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
SCHEMBL14914399 1.00 CHRNB2 (0.47) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL27965768 0.86 MAPT (0.47) CHRNB2CHRNA4MAPTRAB9ASMN1; SMN2
SCHEMBL14924381 0.86 MAPT (0.47) CHRNB2CHRNA4MAPTRAB9ASMN1; SMN2
SCHEMBL29741999 0.86 MAPT (0.47) CHRNB2CHRNA4MAPTRAB9ASMN1; SMN2
SCHEMBL14914028 0.85 MAPT (0.52) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL14914029 0.85 MAPT (0.52) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL20267954 0.85 MAPT (0.52) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL14916285 0.81 CHRNB2 (0.41) CHRNB2CHRNA4JAK3
SCHEMBL28957927 0.76 MAPT (0.52) CHRNB2CHRNA4MAPTRAB9APOLB
SCHEMBL19441886 0.76 GPR119 (0.42) MAPTSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 US disclosed
US-8754077-B2 8-fluorophthalazin-1(2H)-one compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-06-17 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (5 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK CHRNB2 2132/4885CHRNA4 3904/4885MAPT 1436/4885
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CHRNB2 4338/4885CHRNA4 4613/4885MAPT 2501/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CHRNB2 4243/4885CHRNA4 4610/4885MAPT 1919/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK CHRNB2 2635/4885CHRNA4 3774/4885MAPT 1406/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CHRNB2 4338/4885CHRNA4 4613/4885MAPT 2501/4885

“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.