SCHEMBL1829565

SCHEMBL1829565

c1ccc(Cc2ccc(C3CCCN3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
POLB P06746 1/20 0.45
HRH1 P35367 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL170704 0.83 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4POLBCYP1A2
SCHEMBL167264 0.83 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4POLBCYP1A2
SCHEMBL21232 0.83 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4POLBCYP1A2
Hydrochloric Acid SCHEMBL27952288 0.81 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4POLBCYP1A2
Hydrochloric Acid SCHEMBL841177 0.81 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4POLBCYP1A2
Ammonia Solution, Strong SCHEMBL3517185 0.81 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4POLBCYP1A2
Hydrochloric Acid SCHEMBL12497423 0.81 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4POLBCYP1A2
SCHEMBL38659974 0.80 MKNK1 (0.53) CHRNB2CHRNA7CHRNA4POLBCYP1A2
SCHEMBL19580709 0.80 MKNK1 (0.53) CHRNB2CHRNA7CHRNA4POLBCYP1A2
SCHEMBL38659441 0.80 MKNK1 (0.53) CHRNB2CHRNA7CHRNA4POLBCYP1A2

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 19 patents. 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-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
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 LTA4H 4090/4885CHRNB2 3586/4885CHRNA7 4152/4885
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 LTA4H 2492/4885CHRNB2 4583/4885CHRNA7 4412/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 LTA4H 4127/4885CHRNB2 3749/4885CHRNA7 4168/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 LTA4H 4127/4885CHRNB2 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.