SCHEMBL6282643

SCHEMBL6282643

CCCCCCCN(CCN1CCN(CCCO)CC1)C(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.44
CASR P41180 3/20 0.37
BCHE P06276 1/20 0.34
GRIN2B Q13224 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6282714 0.86 SOAT1 (0.37) SOAT1CASR
Hydrochloric Acid SCHEMBL6285697 0.82 SOAT1 (0.65) SOAT1
SCHEMBL4513891 0.75 SOAT1 (0.65) SOAT1
SCHEMBL6280606 0.73
SCHEMBL8856109 0.73 HDAC6 (0.39) SOAT1
SCHEMBL8325945 0.72 SOAT1 (0.47) SOAT1
SCHEMBL8326103 0.72 SOAT1 (0.47) SOAT1
Hydrochloric Acid SCHEMBL6283766 0.72 SOAT1 (0.59) SOAT1
Hydrochloric Acid SCHEMBL6285210 0.71 SOAT1 (0.58) SOAT1
Hydrochloric Acid SCHEMBL6285720 0.71 SOAT1 (0.58) SOAT1

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-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885CASR 4250/4885BCHE 1826/4885

“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.