SCHEMBL6447802

SCHEMBL6447802

C#Cc1cc2c(cc1C)C1CNCC2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.50
CHRNA4 P43681 15/20 0.50
CHRNB4 P30926 6/20 0.47
CHRNA3 P32297 6/20 0.47
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
CHRNB1 P11230 2/20 0.43
CHRND Q07001 2/20 0.43
ESR1 P03372 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
CHRNA2 Q15822 1/20 0.43

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
SCHEMBL6447803 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL26272203 0.81 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406647 0.79 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4408188 0.79 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406133 0.79 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4689647 0.78 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4689221 0.78 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4689642 0.78 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4408234 0.77 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4691980 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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
US-20050043406-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2005-02-24 US claimed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 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-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885CHRNB4 524/4885

“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.