SCHEMBL4880943

SCHEMBL4880943

COC(=O)C1(c2cccc(OC)c2)CCN(c2ncccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.45
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RBP4 P02753 1/20 0.41
HPGD P15428 1/20 0.41
ADAM17 P78536 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4876766 0.92 KMT2A (0.46) MALT1OPRD1KCNH2KDM4EMEN1
SCHEMBL4880646 0.88 SCN10A (0.40) MALT1OPRD1KCNH2SOAT1ALDH1A1
SCHEMBL4880637 0.87 MALT1 (0.41) MALT1OPRD1KCNH2KDM4EMEN1
SCHEMBL4873649 0.85 ALDH1A1 (0.56) KDM4EMEN1TP53TSHRKMT2A
SCHEMBL4878061 0.82 SOAT1 (0.58) MEN1KMT2ASOAT1
SCHEMBL4868290 0.80 KMT2A (0.62) MALT1OPRD1KCNH2KMT2AALDH1A1
SCHEMBL4880752 0.79 SOAT1 (0.54) SOAT1
SCHEMBL27736564 0.79 ADAM17 (0.56) OPRD1MEN1KMT2AALDH1A1ADAM17
SCHEMBL4876722 0.78 SOAT1 (0.56) OPRD1MEN1TP53KMT2ASOAT1
SCHEMBL4877181 0.77 ALDH1A1 (0.56) KDM4EMEN1TP53TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 MALT1 2298/4885OPRD1 628/4885KCNH2 3037/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 MALT1 4297/4885OPRD1 117/4885KCNH2 436/4885

“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.