SCHEMBL6317318

SCHEMBL6317318

COC(=O)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C2CCCCN2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCR5 P51681 3/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AGER Q15109 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHKA P35790 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6316401 0.90 SIGMAR1 (0.48) SIGMAR1CCR5MAPTPOLBHTR2A
SCHEMBL340327 0.82 HTR2A (0.55) CCR5HTR2A
SCHEMBL6104472 0.78 SIGMAR1 (0.50) SIGMAR1CCR5L3MBTL1POLBSMN1; SMN2
SCHEMBL6103397 0.77 CCR5 (0.48) CCR5KDM4EHTR2A
SCHEMBL6103164 0.75 OPRK1 (0.48) SIGMAR1CCR5KDM4EPOLBHTR2A
SCHEMBL6309994 0.75 OPRK1 (0.48) SIGMAR1CCR5KDM4EPOLBHTR2A
SCHEMBL6392559 0.73 CCR5 (0.45) CCR5KDM4ESMN1; SMN2HTR2A
SCHEMBL342164 0.73 CCR5 (0.56) CCR5HTR2A
SCHEMBL4354469 0.73 HTR2A (0.64) CCR5HTR2A
SCHEMBL341489 0.72 HTR2A (0.66) POLBHTR2A

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 SIGMAR1 295/4885CHRNB2 85/4885CHRNA5 53/4885

“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.