SCHEMBL6308447

SCHEMBL6308447

COc1ccc(CC(=O)N(CCc2ccc(Cl)cc2Cl)C2CCCCN2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.51
SIGMAR1 Q99720 4/20 0.45
IDO1 P14902 1/20 0.44
C5AR1 P21730 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL341391 0.84 HTR2A (0.67) HTR2AC5AR1
SCHEMBL4203051 0.84 SIGMAR1 (0.47) HTR2ASIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL18143022 0.78 HTR2A (0.52) HTR2AC5AR1MEN1ALDH1A1HTT
SCHEMBL6104472 0.75 SIGMAR1 (0.50) HTR2ASIGMAR1L3MBTL1
SCHEMBL6316401 0.74 SIGMAR1 (0.48) HTR2ASIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL6309994 0.73 OPRK1 (0.48) HTR2ASIGMAR1ALDH1A1
SCHEMBL6103164 0.73 OPRK1 (0.48) HTR2ASIGMAR1ALDH1A1
SCHEMBL6104408 0.72 SIGMAR1 (0.47) SIGMAR1MEN1ALDH1A1HTTKMT2A
SCHEMBL6317318 0.72 SIGMAR1 (0.45) HTR2ASIGMAR1L3MBTL1
SCHEMBL341392 0.72 HTR2A (0.62) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 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-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885SIGMAR1 295/4885IDO1 512/4885

“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.