SCHEMBL899673

SCHEMBL899673

CCOP(=O)(CC(=O)N1CCN(c2ccnc3ccccc23)CC1)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.49
PDGFRB P09619 1/20 0.49
AKT1 P31749 1/20 0.48
CCR5 P51681 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KCNH2 Q12809 1/20 0.43
CLK1 P49759 1/20 0.43
DPP4 P27487 1/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL900183 0.81 IDE (0.71) IDEPDGFRBAKT1DRD2DRD3
SCHEMBL20274129 0.79 CCR5 (0.57) IDEPDGFRBAKT1CCR5DRD2
SCHEMBL14515648 0.76 CLK1 (0.68) IDEPDGFRBAKT1CCR5DRD2
SCHEMBL2422976 0.74 PDGFRB (0.55) IDEPDGFRBAKT1DRD2DRD3
SCHEMBL30060970 0.73 PDGFRB (0.57) IDEPDGFRBAKT1CCR5DRD2
SCHEMBL19422866 0.73 AKT1 (0.58) IDEPDGFRBAKT1CCR5DRD2
SCHEMBL14565974 0.72 KDM4E (0.61) DRD2MEN1KMT2A
SCHEMBL6186988 0.71 MAPT (0.57) IDEADRB2NCF1SMN1; SMN2MEN1
SCHEMBL30572691 0.71 MEN1 (0.57) IDEPDGFRBAKT1CCR5DRD2
SCHEMBL10268352 0.69 NCF1 (0.67) PDGFRBADRB2NCF1KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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 (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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS IDE 1067/4885PDGFRB 3969/4885AKT1 3807/4885

“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.