SCHEMBL17523784

SCHEMBL17523784

CC(C)(C)CCCCCCCCCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.65
CXCR4 P61073 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
MAOB P27338 3/20 0.43
MAPT P10636 1/20 0.42
HRH1 P35367 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10226325 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL30701394 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293933 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523768 1.00 HRH3 (0.65) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL10032114 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293936 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523782 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13602667 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL17523767 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT
SCHEMBL13293934 0.98 HRH3 (0.61) HRH3CXCR4SIGMAR1MAOBMAPT

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 HRH3 4805/4885CXCR4 2243/4885SIGMAR1 3999/4885

“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.