SCHEMBL1355768

SCHEMBL1355768

c1ccc(Oc2cccc([C@@H]3CCCN3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CHRNB2 P17787 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
LTA4H P09960 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1355770 1.00 KCNH2 (0.52) KCNH2CHRNB2CHRNA7CHRNA4LTA4H
SCHEMBL1827493 0.85 LTA4H (0.51) KCNH2CHRNB2CHRNA7CHRNA4LTA4H
SCHEMBL18616367 0.83 CHRNB2 (0.41) KCNH2CHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL31494212 0.83 MEN1 (0.61) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL6178879 0.83 MEN1 (0.61) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL2808985 0.83 MEN1 (0.61) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL24310072 0.81 KCNH2 (0.57) KCNH2
SCHEMBL30748884 0.81 LTA4H (0.57) KCNH2CHRNB2CHRNA7CHRNA4LTA4H
SCHEMBL21232 0.79 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL167264 0.79 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 US disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 KCNH2 4393/4885CHRNB2 3586/4885CHRNA7 4152/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 KCNH2 4215/4885CHRNB2 4287/4885CHRNA7 4619/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 KCNH2 4250/4885CHRNB2 3749/4885CHRNA7 4168/4885

“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.