SCHEMBL17526458

SCHEMBL17526458

CCCC[C@@H](O)CCCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.45
GNAI3 P08754 5/20 0.45
GNAI1 P63096 5/20 0.45
CXCR4 P61073 2/20 0.44
SIGMAR1 Q99720 4/20 0.42
SOD3 P08294 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 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
SCHEMBL17526509 1.00 GNAO1 (0.45) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL17526676 0.98 GNAO1 (0.47) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL17526616 0.98 GNAO1 (0.47) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL17526971 0.97 GNAO1 (0.49) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL17526841 0.97 GNAO1 (0.49) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL15187325 0.95 SIGMAR1 (0.43) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL15187332 0.95 SIGMAR1 (0.43) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL3148550 0.90 SIGMAR1 (0.42) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL31510341 0.88 GNAO1 (0.44) GNAO1GNAI3GNAI1CXCR4SIGMAR1
SCHEMBL17523860 0.85 CXCR4 (0.43) GNAO1GNAI3GNAI1CXCR4SIGMAR1

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 GNAO1 4461/4885GNAI3 2852/4885GNAI1 2584/4885

“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.