SCHEMBL1323904

SCHEMBL1323904

CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)n(Cc2cncc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.36
FPR1 P21462 1/20 0.34
CYP2D6 P10635 1/20 0.34
BIRC2 Q13490 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GHSR Q92847 3/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL1323907 1.00 P2RX3 (0.36) P2RX3FPR1CYP2D6BIRC2MEN1
SCHEMBL381207 0.90 ELANE (0.40) P2RX3BIRC2
SCHEMBL380513 0.90 ELANE (0.40) P2RX3BIRC2
SCHEMBL380488 0.89 P2RX3 (0.38) P2RX3
SCHEMBL380328 0.89 P2RX3 (0.38) P2RX3
SCHEMBL1324377 0.87 BIRC2 (0.34) BIRC2MAPTKMT2ALMNATHRB
SCHEMBL1324380 0.87 BIRC2 (0.34) BIRC2MAPTKMT2ALMNATHRB
SCHEMBL12122040 0.87 BIRC2 (0.34) BIRC2MAPTKMT2ALMNATHRB
SCHEMBL2209718 0.82 ELANE (0.43) P2RX3
SCHEMBL2209727 0.82 ELANE (0.43) P2RX3

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-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO claimed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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 (1 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 P2RX3 4244/4885FPR1 2727/4885CYP2D6 2593/4885

“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.