SCHEMBL4877679

SCHEMBL4877679

COc1cccc([C@]2(CNS(C)(=O)=O)CC[C@H](N3CCN(C)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.46
KMT2A Q03164 2/20 0.44
SLC6A4 P31645 3/20 0.41
TACR1 P25103 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
HTR6 P50406 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR1D P28221 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4877681 1.00 SOAT1 (0.46) SOAT1KMT2ASLC6A4TACR1MTNR1A
SCHEMBL4878278 0.92 SOAT1 (0.48) SOAT1KMT2ASLC6A4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4878702 0.90 SOAT1 (0.45) SOAT1KMT2ASLC6A4TACR1SIGMAR1
Hydrochloric Acid SCHEMBL4878711 0.90 SOAT1 (0.45) SOAT1KMT2ASLC6A4TACR1SIGMAR1
SCHEMBL5771434 0.89 HTR6 (0.41) SOAT1KMT2AMTNR1AMTNR1BSIGMAR1
SCHEMBL5771439 0.89 HTR6 (0.41) SOAT1KMT2AMTNR1AMTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL4880495 0.88 HTR6 (0.40) SOAT1KMT2AMTNR1AMTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL4872697 0.88 HTR6 (0.40) SOAT1KMT2AMTNR1AMTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL4872712 0.88 HTR6 (0.40) SOAT1KMT2AMTNR1AMTNR1BSIGMAR1
SCHEMBL4872820 0.87 SOAT1 (0.47) SOAT1KMT2ASLC6A4TACR1ALDH1A1

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 3 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-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 SOAT1 502/4885KMT2A 1132/4885SLC6A4 632/4885

“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.