SCHEMBL3611679

SCHEMBL3611679

Cc1ccc(C)c2c(C)c(C(=O)NC3CCCN(C)C3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 3/20 0.47
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
BTK Q06187 5/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CHEK1 O14757 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
PTGS2 P35354 1/20 0.40
GUCY1B2 O75343 1/20 0.39
GUCY1A2 P33402 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39

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
SCHEMBL3612466 1.00 PBK (0.47) PBKCHRNB2CHRNA4BTKCHRNB4
SCHEMBL3611678 1.00 PBK (0.47) PBKCHRNB2CHRNA4BTKCHRNB4
SCHEMBL3606194 0.93 PBK (0.39) PBKCHRNB2CHRNA4BTKCHRNB4
SCHEMBL3597756 0.93 PBK (0.39) PBKCHRNB2CHRNA4BTKCHRNB4
SCHEMBL3597760 0.93 PBK (0.39) PBKCHRNB2CHRNA4BTKCHRNB4
SCHEMBL3593688 0.90 PBK (0.41) PBKBTK
SCHEMBL3593692 0.90 PBK (0.41) PBKBTK
SCHEMBL3605993 0.79 MAPK1 (0.46) PBKCHRNB2CHRNA4CHRNB4CHEK1
SCHEMBL3614136 0.79 MAPK1 (0.46) PBKCHRNB2CHRNA4CHRNB4CHEK1
SCHEMBL3605989 0.79 MAPK1 (0.46) PBKCHRNB2CHRNA4CHRNB4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT PBK 2463/4885CHRNB2 743/4885CHRNA4 856/4885

“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.