SCHEMBL4986643

SCHEMBL4986643

COC(=O)c1ccn(C(c2ccccc2)c2ccccc2)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
PPARA Q07869 2/20 0.43
RAB9A P51151 3/20 0.41
CASR P41180 3/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL14972272 0.87 MAPK1 (0.50) OPRD1TSHRALDH1A1L3MBTL1GAA
SCHEMBL14967035 0.87 MAPK1 (0.50) OPRD1TSHRALDH1A1L3MBTL1GAA
SCHEMBL4993099 0.83 TTR (0.42) OPRD1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL12180512 0.80 CA12 (0.43) TSHRALDH1A1GAAMAPTKMT2A
SCHEMBL4428207 0.78 OPRD1 (0.51) OPRD1TSHRALDH1A1L3MBTL1GAA
SCHEMBL16345385 0.76 FGFR1 (0.55) TSHRALDH1A1GAARAB9AMAPT
SCHEMBL14966301 0.75 KDM4E (0.43) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL23534713 0.74 NOTUM (0.41) TSHRALDH1A1L3MBTL1GAAMAPT
SCHEMBL4996621 0.73 ALDH1A1 (0.41) OPRD1TSHRALDH1A1L3MBTL1GAA
SCHEMBL4429455 0.72 TSHR (0.44) OPRD1TSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 OPRD1 1169/4885TSHR 294/4885ALDH1A1 1639/4885

“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.