SCHEMBL3172320

SCHEMBL3172320

c1ncc(CN2CCCCC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
HRH3 Q9Y5N1 4/20 0.58
HRH4 Q9H3N8 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14304420 0.79 CYP1A2 (0.61) HRH3HRH4CYP2D6MBTD1L3MBTL3
SCHEMBL26665904 0.79 SIGMAR1 (0.55) CHRNB2CHRNA4HRH3TDP1
SCHEMBL21853533 0.79 HRH3 (0.55) CHRNB2CHRNA4HRH3ALDH1A1KDM4E
SCHEMBL28319481 0.79 MC4R (0.55) CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL5166215 0.76 CHRNB2 (0.96) CHRNB2CHRNA4HRH3ALDH1A1KDM4E
SCHEMBL15014582 0.76 ACHE (0.58) CHRNB2CHRNA4HRH3ALDH1A1KDM4E
SCHEMBL12424471 0.76 JAK1 (0.45) CHRNB2CHRNA4ALDH1A1CYP2D6CYP2C19
SCHEMBL18184349 0.76 L3MBTL3 (0.46) CHRNB2CHRNA4ALDH1A1HTTMBTD1
SCHEMBL25171162 0.75 HRH3 (0.59) CHRNB2CHRNA4HRH3HRH4ALDH1A1
SCHEMBL31010063 0.75 ALDH1A1 (0.55) CHRNB2CHRNA4HRH3HRH4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
WO-2016112298-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 WO disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (3 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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CHRNB2 3322/4885CHRNA4 3452/4885HRH3 4782/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CHRNB2 469/4885CHRNA4 340/4885HRH3 1068/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRNB2 469/4885CHRNA4 340/4885HRH3 1068/4885

“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.