SCHEMBL6747528

SCHEMBL6747528

CS[C@H]1CCN(C(C)=N)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC29A1 Q99808 1/20 0.39
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL24568178 0.79 EPHX2 (0.38)
SCHEMBL22655738 0.75 ALDH1A1 (0.33) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL15927308 0.71
SCHEMBL18155282 0.71
SCHEMBL6289961 0.71
SCHEMBL3896026 0.71
SCHEMBL18757311 0.71
SCHEMBL19014331 0.71 CHRNB2 (0.43)
SCHEMBL18704630 0.70 CYP1A2 (0.44)
SCHEMBL15808128 0.70

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-8183233-B2 Stable pharmaceutical formulations BAXTER INTERNATIONAL INC. (US) 2012-05-22 US disclosed
US-20090286764-A1 STABLE PHARMACEUTICAL FORMULATIONS BAXTER INTERNATIONAL INC. (US) 2009-11-19 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-20090286764-A1 STABLE PHARMACEUTICAL FORMULATIONS GMPS, PRNP, PDE10A ESR1 3301/4885CHRM1 3214/4885SLC6A4 2111/4885

“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.