SCHEMBL721774

SCHEMBL721774

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(Oc3ccc(C#N)cn3)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
SCN9A Q15858 3/20 0.34
FPR2 P25090 1/20 0.34
DGAT1 O75907 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
PRKAA2 P54646 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL718456 0.94 P2RX3 (0.34) P2RX3SCN9AFPR2DGAT1HRH3
SCHEMBL719088 0.88 PTGS2 (0.39) DGAT1NPC1RAB9AKMT2A
SCHEMBL3402253 0.88 TEAD4 (0.35) NPC1RAB9AKMT2A
SCHEMBL719543 0.85 FFAR4 (0.33) P2RX3DGAT1NPC1RAB9AKMT2A
SCHEMBL719915 0.84 NPC1 (0.45) NPC1RAB9AKMT2A
SCHEMBL720141 0.84 KMT2A (0.32) KMT2A
SCHEMBL3401976 0.83 BTK (0.41)
SCHEMBL718240 0.82 NPC1 (0.40) NPC1RAB9AKMT2A
SCHEMBL720498 0.82 CASP3 (0.40) NPC1RAB9AKMT2A
SCHEMBL721186 0.82 NPC1 (0.35) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX3 3254/4885SCN9A 1655/4885FPR2 2750/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX3 3254/4885SCN9A 1655/4885FPR2 2750/4885

“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.