SCHEMBL5658561

SCHEMBL5658561

COc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)cnc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
SUV39H2 Q9H5I1 6/20 0.49
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
ALK Q9UM73 5/20 0.48
GPR119 Q8TDV5 2/20 0.46
EGFR P00533 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 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
SCHEMBL3073225 0.95 CHRNB2 (0.57) CHRNB2CHRNA4SUV39H2ALKGPR119
SCHEMBL6351591 0.90 CHRNB2 (0.55) CHRNB2CHRNA4SUV39H2CKS1BSKP1
SCHEMBL5658366 0.89 CKS1B (0.50) SUV39H2CKS1BSKP1SKP2GPR119
SCHEMBL5657135 0.89 CHRNB2 (0.57) CHRNB2CHRNA4SUV39H2CKS1BSKP1
SCHEMBL5655638 0.89 CKS1B (0.47) CHRNB2CHRNA4SUV39H2CKS1BSKP1
SCHEMBL6351766 0.88 CHRNB2 (0.54) CHRNB2CHRNA4SUV39H2CKS1BSKP1
SCHEMBL5658601 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SUV39H2CKS1BSKP1
SCHEMBL25192257 0.83 ALK (0.50) SUV39H2ALKGPR119MAPTALDH1A1
SCHEMBL31173935 0.83 ALK (0.50) SUV39H2ALKGPR119MAPTALDH1A1
SCHEMBL5657487 0.82 CHRNB2 (0.49) CHRNB2CHRNA4SUV39H2CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 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-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885SUV39H2 1661/4885

“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.