SCHEMBL5656417

SCHEMBL5656417

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
GPR119 Q8TDV5 3/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNA7 P36544 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
PDK2 Q15119 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL1686074 0.95 GPR119 (0.52) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL32129014 0.95 GPR119 (0.52) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL6354295 0.88 CKS1B (0.49) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL12225090 0.87 GPR119 (0.52) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL12205269 0.87 GPR119 (0.56) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL5658813 0.87 CKS1B (0.48) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL5656992 0.87 CKS1B (0.48) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL5656725 0.86 CHRNB2 (0.53) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL5656921 0.85 CKS1B (0.47) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL6346858 0.84 MAPT (0.46) MEN1KMT2ACKS1BSKP1SKP2

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
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
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 MEN1 3890/4885KMT2A 1414/4885CKS1B 930/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 MEN1 4043/4885KMT2A 1386/4885CKS1B 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.