SCHEMBL6311307

SCHEMBL6311307

O=C(O)N1CC2CNCC2C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 8/20 0.45
CHRNB2 P17787 6/20 0.45
CHRNB4 P30926 6/20 0.45
CHRNA3 P32297 6/20 0.45
CHRNA7 P36544 6/20 0.45
BPTF Q12830 1/20 0.40
SSTR4 P31391 2/20 0.37
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6311317 0.82 CHRNA4 (0.40) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5747262 0.81 CHRNB2 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29432679 0.76 GRIN2B (0.46)
SCHEMBL5745277 0.72 TACR1 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3SSTR4
SCHEMBL29366368 0.72 CHRNA4 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6319234 0.71 GRIN2B (0.49)
SCHEMBL25388651 0.70 CHRNB2 (0.41) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25390583 0.70 CHRNB2 (0.41) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29432670 0.68 HTR2C (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL853689 0.67 CHRNB2 (0.38) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 CHRNA4 333/4885CHRNB2 311/4885CHRNB4 312/4885

“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.