SCHEMBL4967754

SCHEMBL4967754

CN1CCC[C@H]1COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.71
CHRNA3 P32297 8/20 0.71
CHRNB2 P17787 4/20 0.55
CHRNB1 P11230 3/20 0.55
CHRNB3 Q05901 3/20 0.55
CHRNA4 P43681 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL450269 1.00 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4364278 1.00 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6217227 0.91 CHRNB4 (0.59) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6225147 0.85 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4098323 0.85 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL446091 0.82 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL1264856 0.82 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL447282 0.82 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL28735299 0.82 CHRNB4 (0.47) CHRNB4CHRNA3
SCHEMBL15037237 0.81 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478366-A Pyridone derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-13 CN disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS CHRNB4 4745/4885CHRNA3 4728/4885CHRNB2 4759/4885

“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.