SCHEMBL5656992

SCHEMBL5656992

CC(C)(C)OC(=O)N1CCCN(c2cncc(Br)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
GPR119 Q8TDV5 5/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
PDK2 Q15119 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42

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
SCHEMBL1704960 0.95 GPR119 (0.51) CKS1BSKP1SKP2CHRNB2CHRNA4
SCHEMBL5656417 0.87 MEN1 (0.54) CKS1BSKP1SKP2CHRNB2CHRNA4
SCHEMBL6354295 0.87 CKS1B (0.49) CKS1BSKP1SKP2CHRNB2CHRNA4
SCHEMBL12225090 0.86 GPR119 (0.52) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL12205269 0.86 GPR119 (0.56) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL5658813 0.86 CKS1B (0.48) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL5656725 0.85 CHRNB2 (0.53) CKS1BSKP1SKP2CHRNB2CHRNA4
SCHEMBL5656921 0.84 CKS1B (0.47) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL6346858 0.83 MAPT (0.46) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL5658366 0.82 CKS1B (0.50) CKS1BSKP1SKP2GPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
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 (3 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 CKS1B 930/4885SKP1 1250/4885SKP2 1373/4885
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 CKS1B 323/4885SKP1 3583/4885SKP2 2974/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CKS1B 1007/4885SKP1 1257/4885SKP2 1250/4885

“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.