SCHEMBL5656241

SCHEMBL5656241

C=COc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.47
EGFR P00533 4/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
SUV39H2 Q9H5I1 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK3 P27361 1/20 0.43
MET P08581 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5657135 0.88 CHRNB2 (0.57) ALKEGFRCKS1BSKP1SKP2
SCHEMBL6351766 0.88 CHRNB2 (0.54) ALKEGFRCKS1BSKP1SKP2
SCHEMBL5658271 0.84 MEN1 (0.52) ALKCKS1BSKP1SKP2SUV39H2
SCHEMBL5657487 0.82 CHRNB2 (0.49) CKS1BSKP1SKP2SUV39H2MEN1
SCHEMBL5658601 0.78 CHRNB2 (0.49) ALKCKS1BSKP1SKP2SUV39H2
SCHEMBL5658561 0.78 CHRNB2 (0.53) ALKEGFRCKS1BSKP1SKP2
SCHEMBL25187136 0.77 GPR119 (0.50) ALKCKS1BSKP1SKP2MEN1
SCHEMBL31173934 0.77 GPR119 (0.50) ALKCKS1BSKP1SKP2MEN1
SCHEMBL5656417 0.77 MEN1 (0.54) CKS1BSKP1SKP2SUV39H2MEN1
SCHEMBL6350309 0.76 MEN1 (0.53) CKS1BSKP1SKP2SUV39H2MEN1

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 ALK 497/4885EGFR 1709/4885CKS1B 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.