SCHEMBL2084830

SCHEMBL2084830

[CH]1CN2CCCc3cccc1c32

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
CES1 P23141 2/20 0.44
HTR2B P41595 1/20 0.42
ALOX12 P18054 1/20 0.39
HTR1A P08908 2/20 0.38
NISCH Q9Y2I1 1/20 0.35
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RAD52 P43351 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3333311 0.84 HTR2C (0.46) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL181813 0.84 HTR2C (0.50) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL60540 0.78 HTR2C (0.69) HTR2CCES1HTR2BALOX12HTR1A
Bromide SCHEMBL8863742 0.76 HTR2C (0.67) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL4492996 0.74 HTR2C (0.68) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL2338214 0.74 HTR2C (0.65) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL624887 0.74 HTR2C (0.44) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL2174440 0.72 HTR2C (0.43) HTR2CCES1HTR2BHTR1AACHE
SCHEMBL22770710 0.71 HTR2C (0.61) HTR2CCES1HTR2BALOX12HTR1A
SCHEMBL9112773 0.69 HTR2C (0.42) HTR2CCES1HTR2BALOX12HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH HTR2C 55/4885CES1 1681/4885HTR2B 81/4885
US-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 HTR2C 169/4885CES1 1268/4885HTR2B 176/4885
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 HTR2C 131/4885CES1 704/4885HTR2B 103/4885

“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.