SCHEMBL4876839

SCHEMBL4876839

COc1cccc(C2(C3CCN(Cc4ccccc4)CC3)CCC(C#N)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
CXCR3 P49682 3/20 0.49
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM4 P08173 1/20 0.44
ACHE P22303 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL11539155 0.83 SLC6A4 (0.55) SIGMAR1CXCR3CHRM2CHRM3ALDH1A1
SCHEMBL11539150 0.83 SLC6A4 (0.55) SIGMAR1CXCR3CHRM2CHRM3ALDH1A1
SCHEMBL5475207 0.78 KMT2A (0.54) SIGMAR1CXCR3CHRM2CHRM3KMT2A
SCHEMBL5475211 0.78 KMT2A (0.54) SIGMAR1CXCR3CHRM2CHRM3KMT2A
SCHEMBL4872137 0.77 OPRM1 (0.70) SIGMAR1ALDH1A1KMT2A
SCHEMBL5480842 0.77 KMT2A (0.57) SIGMAR1CHRM2CHRM3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8355555 0.76 OPRM1 (0.68) SIGMAR1ALDH1A1KMT2A
SCHEMBL11551237 0.76 SLC6A4 (0.60) SIGMAR1CXCR3CHRM2CHRM3ALDH1A1
SCHEMBL11242548 0.76 SLC6A4 (0.60) SIGMAR1CXCR3CHRM2CHRM3ALDH1A1
SCHEMBL11539814 0.75 SLC6A4 (0.60) SIGMAR1CHRM2CHRM3ALDH1A1KMT2A

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
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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 (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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 SIGMAR1 298/4885CXCR3 562/4885CHRM2 766/4885

“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.