SCHEMBL4880432

SCHEMBL4880432

COc1cccc(C2(C#N)CCCN(c3ccccc3OC)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
SOAT1 P35610 5/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 1/20 0.44
DRD4 P21917 3/20 0.43
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 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
SCHEMBL4870906 0.96 KMT2A (0.67) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5480775 0.88 KMT2A (0.57) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5476121 0.86 KMT2A (0.53) KMT2AHTR1AADRA1DADRA1AADRA1B
SCHEMBL5475094 0.86 KMT2A (0.55) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5470053 0.86 KMT2A (0.55) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5475908 0.85 KMT2A (0.54) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5475695 0.85 KMT2A (0.62) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL4872045 0.84 KMT2A (0.58) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5478009 0.84 HTR1A (0.52) KMT2ASOAT1HTR1AADRA1DADRA1A
SCHEMBL5482306 0.84 KMT2A (0.51) KMT2AHTR1AADRA1ASMN1; SMN2NPC1

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 KMT2A 1132/4885SOAT1 502/4885HTR1A 2072/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885SOAT1 1040/4885HTR1A 1323/4885

“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.