SCHEMBL5658601

SCHEMBL5658601

CC(C)(C)OC(=O)N1CCCN(c2cnc(Br)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR119 Q8TDV5 2/20 0.47
SUV39H2 Q9H5I1 4/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MET P08581 3/20 0.44
ALK Q9UM73 2/20 0.44
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 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
SCHEMBL3061938 0.95 MAPT (0.50) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL5658271 0.89 MEN1 (0.52) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL5658366 0.89 CKS1B (0.50) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL5657487 0.87 CHRNB2 (0.49) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL5658561 0.87 CHRNB2 (0.53) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL6351591 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL3061133 0.82 MAPT (0.53) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL5657135 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL5655638 0.82 CKS1B (0.47) CHRNB2CHRNA4CKS1BSKP1SKP2
SCHEMBL5656417 0.81 MEN1 (0.54) CHRNB2CHRNA4CKS1BSKP1SKP2

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-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
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 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 (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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885CKS1B 930/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CKS1B 1007/4885

“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.