SCHEMBL6311317

SCHEMBL6311317

Cc1ccccc1C1C2CNCC2CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.40
CHRNB2 P17787 5/20 0.40
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
CHRNA7 P36544 5/20 0.40
HTR2C P28335 4/20 0.36
BPTF Q12830 1/20 0.36
SSTR4 P31391 3/20 0.35
MAOB P27338 1/20 0.34
BRD4 O60885 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
SCHEMBL5745277 0.83 TACR1 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3HTR2C
SCHEMBL6311624 0.82 CHRNB2 (0.43) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6311307 0.82 CHRNA4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5746496 0.75 GRIN2B (0.44)
SCHEMBL29432670 0.74 HTR2C (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25388651 0.69 CHRNB2 (0.41) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25390583 0.69 CHRNB2 (0.41) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18284815 0.69 TAAR1 (0.44) HTR2CMAOB
SCHEMBL2801968 0.68 SCN4A (0.43) MAOB
SCHEMBL29366368 0.68 CHRNA4 (0.47) 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.