SCHEMBL5777671

SCHEMBL5777671

CN1CCC[C@H]1COc1cccc2c1CCN(C(=O)O)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.51
CHRNA3 P32297 5/20 0.51
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL5774902 0.81 CPT2 (0.45) CPT2CPT1A
SCHEMBL5776395 0.81 TMEM97 (0.45) CPT2CPT1A
SCHEMBL5775332 0.81 TMEM97 (0.45) CPT2CPT1A
SCHEMBL28864977 0.77 ABHD6 (0.49) CPT2CPT1A
SCHEMBL5773186 0.76 HRH3 (0.47) CPT2CPT1A
SCHEMBL5778766 0.75 KDM4E (0.48) CPT2CPT1A
SCHEMBL30470871 0.75 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL22319858 0.75 ABHD6 (0.55) CPT2CPT1A
SCHEMBL17607362 0.75 ACACB (0.51) CPT2CPT1A
SCHEMBL20983789 0.74 ABHD6 (0.69) CPT2CPT1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 CHRNB4 432/4885CHRNA3 395/4885CHRNB2 810/4885

“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.