SCHEMBL7170705

SCHEMBL7170705

C[C@H](CC=Cc1cncnc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL7170974 1.00 AAK1 (0.33) AAK1CHRNB2CHRNA4RAB9A
SCHEMBL7170985 1.00 AAK1 (0.33) AAK1CHRNB2CHRNA4RAB9A
SCHEMBL7170697 1.00 AAK1 (0.33) AAK1CHRNB2CHRNA4RAB9A
SCHEMBL7170702 1.00 AAK1 (0.33) AAK1CHRNB2CHRNA4RAB9A
SCHEMBL7097849 0.87 CHRNB2 (0.36) AAK1CHRNB2CHRNA4
SCHEMBL7099305 0.86 AAK1 (0.37) AAK1
SCHEMBL3325118 0.86 CHRNB2 (0.49) CHRNB2CHRNA4RAB9A
SCHEMBL3325125 0.86 CHRNB2 (0.49) CHRNB2CHRNA4RAB9A
SCHEMBL617955 0.85 AAK1 (0.39) AAK1CHRNB2CHRNA4RAB9A
SCHEMBL617956 0.85 AAK1 (0.39) AAK1CHRNB2CHRNA4RAB9A

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-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US claimed

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-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 AAK1 3270/4885CHRNB2 9/4885CHRNA4 7/4885

“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.