SCHEMBL4085469

SCHEMBL4085469

CN1CCCC1COc1ccc2cc(-c3nn([C@@H]4CCCCO4)c4ccc(C(=O)O)cc34)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.43
CHRNB4 P30926 9/20 0.43
CHRNA3 P32297 9/20 0.43
CHRNB1 P11230 8/20 0.43
CHRNB3 Q05901 8/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRNA4 P43681 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL4085472 1.00 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4088601 0.94 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4088598 0.94 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4079746 0.91 MCHR1 (0.37) HRH3RXRARXRBRXRG
SCHEMBL4079745 0.91 MCHR1 (0.37) HRH3RXRARXRBRXRG
SCHEMBL4094449 0.88 CHRNB1 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4084896 0.88 CHRNB1 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4186038 0.88 CHRNB1 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4089143 0.86 CHRNB1 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4079169 0.84 KDM4E (0.44) RXRARXRBRXRG

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
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 CHRNB2 3046/4885CHRNB4 3071/4885CHRNA3 1612/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CHRNB2 3229/4885CHRNB4 3275/4885CHRNA3 1808/4885

“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.