SCHEMBL6691048

SCHEMBL6691048

c1cncc([C@@H]2CC[C@@H]3CCN2C3)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.82
CHRNB2 P17787 4/20 0.69
CHRNA4 P43681 4/20 0.69
ALDH1A1 P00352 3/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA2 Q15822 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR3E A5X5Y0 1/20 0.51
PSIP1 O75475 1/20 0.51
TRPA1 O75762 1/20 0.51
HTR3B O95264 1/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
MAPT P10636 1/20 0.51
CHRNB1 P11230 1/20 0.51
CYP2A6 P11509 1/20 0.51
PTGS1 P23219 1/20 0.51
CHRNA5 P30532 1/20 0.51

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
SCHEMBL31090364 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL6689784 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL31090363 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL6786606 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL6692788 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL1482954 1.00 CHRNA7 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29733346 0.90 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL5378467 0.90 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL372800 0.90 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL5389874 0.90 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4

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
WO-2004108668-A2 ALPHA-7 NEURONAL NICOTINIC RECEPTOR LIGANDS: COMPOSITIONS AND METHODS OF USE TARGACEPT, INC. (US) 2004-12-16 WO claimed
US-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. 2004-11-04 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-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release COMT, SLC6A3, PARK7 CHRNA7 27/4885CHRNB2 16/4885CHRNA4 74/4885

“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.