SCHEMBL4966709

SCHEMBL4966709

CN1CCC[C@@H]1COc1cc([N+](=O)[O-])ccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.64
CHRNA3 P32297 8/20 0.64
UTS2R Q9UKP6 2/20 0.53
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 1/20 0.53
CHRNB1 P11230 1/20 0.52
CHRNB3 Q05901 1/20 0.52

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
SCHEMBL4966717 1.00 CHRNB4 (0.64) CHRNB4CHRNA3UTS2RCHRNB2CHRNA4
SCHEMBL4375014 0.91 CHRNB4 (0.61) CHRNB4CHRNA3UTS2RCHRNB2CHRNA4
SCHEMBL5134516 0.91 CHRNB4 (0.61) CHRNB4CHRNA3UTS2RCHRNB2CHRNA4
SCHEMBL4375016 0.91 CHRNB4 (0.61) CHRNB4CHRNA3UTS2RCHRNB2CHRNA4
SCHEMBL4371825 0.84 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4371821 0.84 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL5257833 0.84 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL8795514 0.84 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL8795523 0.84 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4367106 0.82 ALOX5AP (0.44) CHRNB4CHRNA3UTS2RCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4728/4885UTS2R 2643/4885

“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.