SCHEMBL4186038

SCHEMBL4186038

CN1CCCC1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 8/20 0.43
CHRNB2 P17787 8/20 0.43
CHRNB4 P30926 8/20 0.43
CHRNA3 P32297 8/20 0.43
CHRNB3 Q05901 8/20 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
SCHEMBL4084896 1.00 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4094449 1.00 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4089143 0.98 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4080211 0.92 SLC6A2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4085390 0.91 HRH3 (0.40)
SCHEMBL3950058 0.91 HRH3 (0.40)
SCHEMBL4046304 0.91 HRH3 (0.40)
SCHEMBL4085007 0.91 HRH3 (0.40)
SCHEMBL4080029 0.88 CMKLR1 (0.35)
SCHEMBL4085472 0.88 CHRNB2 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CHRNB1 1817/4885CHRNB2 3046/4885CHRNB4 3071/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CHRNB1 2008/4885CHRNB2 3229/4885CHRNB4 3275/4885

“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.