SCHEMBL3063531

SCHEMBL3063531

O=C1CCCN1[C@@H]1CCNC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL3069116 1.00 SLC18A3 (0.41) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3069118 1.00 SLC18A3 (0.41) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3063526 1.00 SLC18A3 (0.41) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3063529 1.00 SLC18A3 (0.41) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25337526 0.81 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL25337362 0.79 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3943960 0.79 SLC18A3 (0.44) SLC18A3MEN1ALDH1A1KMT2A
SCHEMBL13950159 0.76 HTR2C (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5900855 0.76 HTR2C (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL31437688 0.75 HTR2C (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 SLC18A3 4519/4885CHRNB2 4885/4885CHRNB4 4882/4885

“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.